1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride
TL;DR: 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride (CAS 132775-71-4) is a chemical compound with molecular formula C13H20ClN9O2 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-amino-3-iminopropyl)-5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
Also Known As: 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride, 3-(1-Methyl-3-(1-methyl-4-aminopyrrole-2-carboxamido)-1,2,4-triazole -5-carboxamido)propionamidine hydrochloride, N-(3-Amino-3-iminopropyl)-3-(4-amino-1-methyl-1H-pyrrole-2-carboxamido)-1-methyl-1H-1,2,4-triazole-5-carboxamide--hydrogen chloride (1/1), N-(3-amino-3-iminopropyl)-5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide hydrochloride
| Molecular Formula | C13H20ClN9O2 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | -0.53423 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.14285 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 132775-71-4 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=NN(C(=N2)C(=O)NCCC(=N)N)C)N.Cl |
| InChIKey | VLNLKFOYXOJGRS-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride (CAS 132775-71-4), with molecular formula C13H20ClN9O2 and molecular weight 369.14 g/mol. IUPAC: N-(3-amino-3-iminopropyl)-5-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-2-methyl-1,2,4-triazole-3-carboxamide;hydrochloride.
Chemical Property Profile of 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride
Property Insights of 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride
The XLogP value of -0.53423 indicates that 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-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-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride has 6 hydrogen bond donor(s) and 6 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-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride?
The CAS number of 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride is 132775-71-4.
What is the molecular formula of 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride?
The molecular formula of 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride is C13H20ClN9O2.
What is the molecular weight of 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride?
The molecular weight of 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride is 369.14 g/mol.
Where can I buy 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride?
You can request a quote for 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-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-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-5-carboxamide, N-(3-amino-3-iminopropyl)-3-(((4-amino-1-methyl-1H-pyrrol-2-yl)carbonyl)amino)-1-methyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.