2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine

C11H20N4 — CID 62710577

IUPAC2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1nncn1C1CCCCC1
InChIInChI=1S/C11H20N4/c1-11(2,12)10-14-13-8-15(10)9-6-4-3-5-7-9/h8-9H,3-7,12H2,1-2H3
InChIKeyOHEASABRNBYPNW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine

2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 62710577) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID62710577
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCC(C)(N)c1nncn1C1CCCCC1
InChIInChI=1S/C11H20N4/c1-11(2,12)10-14-13-8-15(10)9-6-4-3-5-7-9/h8-9H,3-7,12H2,1-2H3
InChIKeyOHEASABRNBYPNW-UHFFFAOYSA-N
XLogP1.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine (CID 62710577) is 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine is CC(C)(N)c1nncn1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is OHEASABRNBYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,12)10-14-13-8-15(10)9-6-4-3-5-7-9/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine?
2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 62710577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).