4-Benzylamino-4H-1,2,4-triazole
TL;DR: 4-Benzylamino-4H-1,2,4-triazole (CAS 6111-75-7) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-1,2,4-triazol-4-amine
Also Known As: 4-Benzylamino-4H-1,2,4-triazole, N-Benzyl-4H-1,2,4-triazol-4-amine, N-benzyl-1,2,4-triazol-4-amine, 4-benzylamino-1,2,4-triazole, 4H-1,2,4-Triazol-4-amine, N-(phenylmethyl)-
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 6111-75-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNN2C=NN=C2 |
| InChIKey | SPDFDAGDXMPLTG-UHFFFAOYSA-N |
Product Overview
4-Benzylamino-4H-1,2,4-triazole (CAS 6111-75-7), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: N-benzyl-1,2,4-triazol-4-amine.
Chemical Property Profile of 4-Benzylamino-4H-1,2,4-triazole
Property Insights of 4-Benzylamino-4H-1,2,4-triazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylamino-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 42.7 Ų, 4-Benzylamino-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylamino-4H-1,2,4-triazole has 1 hydrogen bond donor(s) and 3 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 4-Benzylamino-4H-1,2,4-triazole?
The CAS number of 4-Benzylamino-4H-1,2,4-triazole is 6111-75-7.
What is the molecular formula of 4-Benzylamino-4H-1,2,4-triazole?
The molecular formula of 4-Benzylamino-4H-1,2,4-triazole is C9H10N4.
What is the molecular weight of 4-Benzylamino-4H-1,2,4-triazole?
The molecular weight of 4-Benzylamino-4H-1,2,4-triazole is 174.09 g/mol.
Where can I buy 4-Benzylamino-4H-1,2,4-triazole?
You can request a quote for 4-Benzylamino-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylamino-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylamino-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.