N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine
TL;DR: N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine (CAS 304870-72-2) is a chemical compound with molecular formula C12H18N4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2E)-2-(2-methylpropylidene)-N-(1,2,4-triazol-4-yl)cyclohexan-1-imine
Also Known As: AB00092477-01, (E)-N-((E)-2-(2-methylpropylidene)cyclohexylidene)-4H-1,2,4-triazol-4-amine, (2E)-2-(2-methylpropylidene)-N-(1,2,4-triazol-4-yl)cyclohexan-1-imine, (E,2E)-2-(2-methylpropylidene)-N-(1,2,4-triazol-4-yl)cyclohexan-1-imine, N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C12H18N4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 2.6386 |
| Topological Polar Surface Area | 43.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.15315 |
| Heavy Atoms | 16 |
| Complexity | 387.16107 |
Chemical Identifiers
| CAS Number | 304870-72-2 |
|---|---|
| SMILES | CC(C)/C=C/1\CCCC\C1=N/N2C=NN=C2 |
Product Overview
N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine (CAS 304870-72-2), with molecular formula C12H18N4 and molecular weight 218.15 g/mol. IUPAC: (E,2E)-2-(2-methylpropylidene)-N-(1,2,4-triazol-4-yl)cyclohexan-1-imine.
Chemical Property Profile of N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine
Property Insights of N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine
The XLogP value of 2.6386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 43.07 Ų, N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine 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-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine?
The CAS number of N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine is 304870-72-2.
What is the molecular formula of N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine is C12H18N4.
What is the molecular weight of N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine is 218.15 g/mol.
Where can I buy N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2-methylpropylidene)cyclohexylidene]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.