1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-
TL;DR: 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- (CAS 62176-89-0) is a chemical compound with molecular formula C16H13N5 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(benzylideneamino)-1H-1,2,4-triazol-5-yl]-1-phenylmethanimine
Also Known As: TimTec1_003912, 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-, 1H-1,2,4-Triazole-3,5-diamine,N,N'-bis(phenylmethylene), N-[3-(benzylideneamino)-1H-1,2,4-triazol-5-yl]-1-phenylmethanimine, N,N'-(1H-1,2,4-Triazole-3,5-diyl)bis(1-phenylmethanimine)
| Molecular Formula | C16H13N5 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.1171 |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 62176-89-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=NC(=NN2)N=CC3=CC=CC=C3 |
| InChIKey | DJVVLEXQKXKHAZ-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- (CAS 62176-89-0), with molecular formula C16H13N5 and molecular weight 275.12 g/mol. IUPAC: N-[3-(benzylideneamino)-1H-1,2,4-triazol-5-yl]-1-phenylmethanimine.
Chemical Property Profile of 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-
Property Insights of 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-
The XLogP value of 3.3 indicates that 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- has 1 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,N'-bis(phenylmethylene)-?
The CAS number of 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- is 62176-89-0.
What is the molecular formula of 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-?
The molecular formula of 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- is C16H13N5.
What is the molecular weight of 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-?
The molecular weight of 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- is 275.12 g/mol.
Where can I buy 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)-?
You can request a quote for 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(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,N'-bis(phenylmethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-3,5-diamine, N,N'-bis(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.