N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
TL;DR: N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine (CAS 878714-32-0) is a chemical compound with molecular formula C12H16N4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazol-5-amine
Also Known As: N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine, ASN 12419619, AN-465/43369607, N-[4-(propan-2-yl)benzyl]-1H-1,2,4-triazol-3-amine, (4-Isopropyl-benzyl)-(1H-[1,2,4]triazol-3-yl)-amine
| Molecular Formula | C12H16N4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.5402 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.1375 |
| Heavy Atoms | 16 |
| Complexity | 416.7892 |
Chemical Identifiers
| CAS Number | 878714-32-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CNC2=NC=NN2 |
Product Overview
N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine (CAS 878714-32-0), with molecular formula C12H16N4 and molecular weight 216.14 g/mol. IUPAC: N-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
Property Insights of N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine
The XLogP value of 2.5402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine. With a topological polar surface area (TPSA) of 53.6 Ų, N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine has 2 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 N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
The CAS number of N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine is 878714-32-0.
What is the molecular formula of N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
The molecular formula of N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine is C12H16N4.
What is the molecular weight of N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
The molecular weight of N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine is 216.14 g/mol.
Where can I buy N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
You can request a quote for N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-isopropylbenzyl)-N-(1H-1,2,4-triazol-3-yl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.