![N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine structure](/static/products/878/878713-18-9.png)
N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
TL;DR: N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (CAS 878713-18-9) is a chemical compound with molecular formula C10H13N5 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
Also Known As: ASN 12403184, N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine, 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine, N*3*-(4-Methyl-benzyl)-1H-[1,2,4]triazole-3,5-diamine, N~3~-[(4-Methylphenyl)methyl]-4H-1,2,4-triazole-3,5-diamine
| Molecular Formula | C10H13N5 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 1.30742 |
| Topological Polar Surface Area | 79.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.1171 |
| Heavy Atoms | 15 |
| Complexity | 431.32834 |
Chemical Identifiers
| CAS Number | 878713-18-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=NNC(=N2)N |
Product Overview
N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine (CAS 878713-18-9), with molecular formula C10H13N5 and molecular weight 203.12 g/mol. IUPAC: 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine.
Chemical Property Profile of N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
Property Insights of N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
The XLogP value of 1.30742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine. The TPSA of 79.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine has 3 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 N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The CAS number of N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is 878713-18-9.
What is the molecular formula of N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The molecular formula of N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is C10H13N5.
What is the molecular weight of N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
The molecular weight of N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine is 203.12 g/mol.
Where can I buy N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
You can request a quote for N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.