1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride
TL;DR: 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride (CAS 132775-63-4) is a chemical compound with molecular formula C12H18ClN11O3 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-amino-3-iminopropyl)-5-[(5-formamido-2-methyl-1,2,4-triazole-3-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
Also Known As: 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride, N-(3-amino-3-iminopropyl)-5-[(5-formamido-2-methyl-1,2,4-triazole-3-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide hydrochloride, N-{5-[(3-Amino-3-iminopropyl)carbamoyl]-1-methyl-1H-1,2,4-triazol-3-yl}-3-formamido-1-methyl-1H-1,2,4-triazole-5-carboxamide--hydrogen chloride (1/1)
| Molecular Formula | C12H18ClN11O3 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | -1.75813 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.12827 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 132775-63-4 |
|---|---|
| SMILES | CN1C(=NC(=N1)NC=O)C(=O)NC2=NN(C(=N2)C(=O)NCCC(=N)N)C.Cl |
| InChIKey | IZYDBQHCMKXJPC-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride (CAS 132775-63-4), with molecular formula C12H18ClN11O3 and molecular weight 399.13 g/mol. IUPAC: N-(3-amino-3-iminopropyl)-5-[(5-formamido-2-methyl-1,2,4-triazole-3-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide;hydrochloride.
Chemical Property Profile of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride
Property Insights of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride
The XLogP value of -1.75813 indicates that 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride?
The CAS number of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride is 132775-63-4.
What is the molecular formula of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride?
The molecular formula of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride is C12H18ClN11O3.
What is the molecular weight of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride?
The molecular weight of 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride is 399.13 g/mol.
Where can I buy 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride?
You can request a quote for 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-5-carboxamide, N-(5-(((3-amino-3-iminopropyl)amino)carbonyl)-1-methyl-1H-1,2,4-triazol-3-yl)-3-(formylamino)-1-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.