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

C13H24N4 — CID 62722907

IUPAC1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C13H24N4/c1-4-11(14-2)13-15-12(16-17(13)3)10-8-6-5-7-9-10/h10-11,14H,4-9H2,1-3H3
InChIKeyWPQZCGJFLQDXTC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.53
Rot. Bonds4

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

1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine (PubChem CID 62722907) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
PubChem CID62722907
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1nc(C2CCCCC2)nn1C
InChIInChI=1S/C13H24N4/c1-4-11(14-2)13-15-12(16-17(13)3)10-8-6-5-7-9-10/h10-11,14H,4-9H2,1-3H3
InChIKeyWPQZCGJFLQDXTC-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-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-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 62722708
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62720886
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62720541
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 82698034
3-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 114192965
2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 62722170
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815858
4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 62721471
4-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylpiperidine
CID 55177966
2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 55111659
(R)-cyclohexyl-[5-(oxan-4-yl)-2-propyl-1,2,4-triazol-3-yl]methanol
CID 74232900

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine (CID 62722907) is 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine is CCC(NC)c1nc(C2CCCCC2)nn1C.
What is the InChIKey of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
The InChIKey is WPQZCGJFLQDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-11(14-2)13-15-12(16-17(13)3)10-8-6-5-7-9-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine?
1-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.53, 4 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)-N-methylpropan-1-amine is sourced from PubChem (CID 62722907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).