3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide
TL;DR: 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide (CAS 9017-40-7) is a chemical compound with molecular formula C3H5N5O and molecular weight 127.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,2,4-triazole-1-carboxamide
Also Known As: 3-amino-1h-1,2,4-triazole-1-carboxamide, NCIOpen2_001782, 3-amino-1,2,4-triazole-1-carboxamide, 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide, 5-imino-1H-1,2,4-triazole-2-carboxamide
| Molecular Formula | C3H5N5O |
|---|---|
| Molecular Weight | 127.05 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.04941 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 9017-40-7 |
|---|---|
| SMILES | C1=NC(=NN1C(=O)N)N |
| InChIKey | BYAQWNYPXQRHIC-UHFFFAOYSA-N |
Product Overview
3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide (CAS 9017-40-7), with molecular formula C3H5N5O and molecular weight 127.05 g/mol. IUPAC: 3-amino-1,2,4-triazole-1-carboxamide.
Chemical Property Profile of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide
Property Insights of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide
The XLogP value of -1.0 indicates that 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide. Following Lipinski's Rule of Five, 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide?
The CAS number of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide is 9017-40-7.
What is the molecular formula of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide?
The molecular formula of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide is C3H5N5O.
What is the molecular weight of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide?
The molecular weight of 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide is 127.05 g/mol.
Where can I buy 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide?
You can request a quote for 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Imino-2,3-dihydro-1H-1,2,4-triazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.