1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-
TL;DR: 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- (CAS 62176-79-8) is a chemical compound with molecular formula C9H9N5 and molecular weight 187.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylideneamino)-1H-1,2,4-triazol-5-amine
Also Known As: 3-(benzylideneamino)-1H-1,2,4-triazol-5-amine, 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-, 5-(benzylideneamino)-2H-1,2,4-triazol-3-amine
| Molecular Formula | C9H9N5 |
|---|---|
| Molecular Weight | 187.09 g/mol |
| LogP | 1.1375 |
| Topological Polar Surface Area | 79.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.0858 |
| Heavy Atoms | 14 |
| Complexity | 431.47278 |
Chemical Identifiers
| CAS Number | 62176-79-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=NNC(=N2)N |
Product Overview
1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- (CAS 62176-79-8), with molecular formula C9H9N5 and molecular weight 187.09 g/mol. IUPAC: 3-(benzylideneamino)-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-
Property Insights of 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-
The XLogP value of 1.1375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-. The TPSA of 79.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- 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 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-?
The CAS number of 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- is 62176-79-8.
What is the molecular formula of 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-?
The molecular formula of 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- is C9H9N5.
What is the molecular weight of 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-?
The molecular weight of 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- is 187.09 g/mol.
Where can I buy 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)-?
You can request a quote for 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- 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-3,5-diamine, N-(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3,5-diamine, N-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.