N-(1H-1,2,4-triazol-5-yl)heptan-1-imine
TL;DR: N-(1H-1,2,4-triazol-5-yl)heptan-1-imine (CAS 23129-78-4) is a chemical compound with molecular formula C9H16N4 and molecular weight 180.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1H-1,2,4-triazol-5-yl)heptan-1-imine
Also Known As: s-Triazole, 3-(heptylideneamino)-, 3-Heptylideneamino-1,2,4-triazole, 1H-1,2,4-Triazol-5-amine,N-heptylidene-
| Molecular Formula | C9H16N4 |
|---|---|
| Molecular Weight | 180.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 180.1375 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 23129-78-4 |
|---|---|
| SMILES | CCCCCCC=NC1=NC=NN1 |
| InChIKey | FIOVOKBNWGTPRX-UHFFFAOYSA-N |
Product Overview
N-(1H-1,2,4-triazol-5-yl)heptan-1-imine (CAS 23129-78-4), with molecular formula C9H16N4 and molecular weight 180.14 g/mol. IUPAC: N-(1H-1,2,4-triazol-5-yl)heptan-1-imine.
Chemical Property Profile of N-(1H-1,2,4-triazol-5-yl)heptan-1-imine
Property Insights of N-(1H-1,2,4-triazol-5-yl)heptan-1-imine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-1,2,4-triazol-5-yl)heptan-1-imine. With a topological polar surface area (TPSA) of 53.9 Ų, N-(1H-1,2,4-triazol-5-yl)heptan-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-1,2,4-triazol-5-yl)heptan-1-imine 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 N-(1H-1,2,4-triazol-5-yl)heptan-1-imine?
The CAS number of N-(1H-1,2,4-triazol-5-yl)heptan-1-imine is 23129-78-4.
What is the molecular formula of N-(1H-1,2,4-triazol-5-yl)heptan-1-imine?
The molecular formula of N-(1H-1,2,4-triazol-5-yl)heptan-1-imine is C9H16N4.
What is the molecular weight of N-(1H-1,2,4-triazol-5-yl)heptan-1-imine?
The molecular weight of N-(1H-1,2,4-triazol-5-yl)heptan-1-imine is 180.14 g/mol.
Where can I buy N-(1H-1,2,4-triazol-5-yl)heptan-1-imine?
You can request a quote for N-(1H-1,2,4-triazol-5-yl)heptan-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-1,2,4-triazol-5-yl)heptan-1-imine?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,4-triazol-5-yl)heptan-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.