3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine

C13H24N4 — CID 55147302

IUPAC3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCC(C)Cc1nc(C2CCCC(N)C2)n(C)n1
InChIInChI=1S/C13H24N4/c1-9(2)7-12-15-13(17(3)16-12)10-5-4-6-11(14)8-10/h9-11H,4-8,14H2,1-3H3
InChIKeyKZPHBBMGBNDGLP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.00
Rot. Bonds3

About 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine

3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (PubChem CID 55147302) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
PubChem CID55147302
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
SMILESCC(C)Cc1nc(C2CCCC(N)C2)n(C)n1
InChIInChI=1S/C13H24N4/c1-9(2)7-12-15-13(17(3)16-12)10-5-4-6-11(14)8-10/h9-11H,4-8,14H2,1-3H3
InChIKeyKZPHBBMGBNDGLP-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine (CID 55147302) is 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is CC(C)Cc1nc(C2CCCC(N)C2)n(C)n1.
What is the InChIKey of 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
The InChIKey is KZPHBBMGBNDGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)7-12-15-13(17(3)16-12)10-5-4-6-11(14)8-10/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine?
3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 55147302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).