1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine

C16H28N4 — CID 62722733

IUPAC1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CCCCC3)nn2C)C1
InChIInChI=1S/C16H28N4/c1-12-7-6-10-16(17,11-12)15-18-14(19-20(15)2)13-8-4-3-5-9-13/h12-13H,3-11,17H2,1-2H3
InChIKeyCTYYJPRMBNWTKD-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.23
Rot. Bonds2

About 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine

1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine (PubChem CID 62722733) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
PubChem CID62722733
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CCCCC3)nn2C)C1
InChIInChI=1S/C16H28N4/c1-12-7-6-10-16(17,11-12)15-18-14(19-20(15)2)13-8-4-3-5-9-13/h12-13H,3-11,17H2,1-2H3
InChIKeyCTYYJPRMBNWTKD-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62721241
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
CID 64981922
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249794
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
CID 55177966
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine
CID 62697029
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-methyloxolan-3-amine
CID 66249793
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61352329
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815858
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
CID 63906078
1-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cycloheptan-1-amine
CID 62723021
5-(4,4-difluorocyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605344

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine (CID 62722733) is 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2nc(C3CCCCC3)nn2C)C1.
What is the InChIKey of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
The InChIKey is CTYYJPRMBNWTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12-7-6-10-16(17,11-12)15-18-14(19-20(15)2)13-8-4-3-5-9-13/h12-13H,3-11,17H2,1-2H3.
What are the key properties of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine?
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 62722733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).