N-(1,2,4-triazol-4-yl)butan-1-imine
TL;DR: N-(1,2,4-triazol-4-yl)butan-1-imine (CAS 35554-57-5) is a chemical compound with molecular formula C6H10N4 and molecular weight 138.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,2,4-triazol-4-yl)butan-1-imine
Also Known As: N-(1,2,4-triazol-4-yl)butan-1-imine, butylidene-[1,2,4]triazol-4-yl-amine
| Molecular Formula | C6H10N4 |
|---|---|
| Molecular Weight | 138.09 g/mol |
| LogP | 0.9121 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.09055 |
| Heavy Atoms | 10 |
| Complexity | 189.52255 |
Chemical Identifiers
| CAS Number | 35554-57-5 |
|---|---|
| SMILES | CCCC=NN1C=NN=C1 |
Product Overview
N-(1,2,4-triazol-4-yl)butan-1-imine (CAS 35554-57-5), with molecular formula C6H10N4 and molecular weight 138.09 g/mol. IUPAC: N-(1,2,4-triazol-4-yl)butan-1-imine.
Chemical Property Profile of N-(1,2,4-triazol-4-yl)butan-1-imine
Property Insights of N-(1,2,4-triazol-4-yl)butan-1-imine
The XLogP value of 0.9121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,2,4-triazol-4-yl)butan-1-imine. With a topological polar surface area (TPSA) of 43.07 Ų, N-(1,2,4-triazol-4-yl)butan-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,2,4-triazol-4-yl)butan-1-imine has 0 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-(1,2,4-triazol-4-yl)butan-1-imine?
The CAS number of N-(1,2,4-triazol-4-yl)butan-1-imine is 35554-57-5.
What is the molecular formula of N-(1,2,4-triazol-4-yl)butan-1-imine?
The molecular formula of N-(1,2,4-triazol-4-yl)butan-1-imine is C6H10N4.
What is the molecular weight of N-(1,2,4-triazol-4-yl)butan-1-imine?
The molecular weight of N-(1,2,4-triazol-4-yl)butan-1-imine is 138.09 g/mol.
Where can I buy N-(1,2,4-triazol-4-yl)butan-1-imine?
You can request a quote for N-(1,2,4-triazol-4-yl)butan-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-(1,2,4-triazol-4-yl)butan-1-imine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,2,4-triazol-4-yl)butan-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.