4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

C13H24N4 — CID 55111230

IUPAC4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCC(C)CC2)n(C)n1
InChIInChI=1S/C13H24N4/c1-4-5-11-15-12(17(3)16-11)13(14)8-6-10(2)7-9-13/h10H,4-9,14H2,1-3H3
InChIKeySAKYSKHFRXYFOB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds3

About 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine

4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (PubChem CID 55111230) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
PubChem CID55111230
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCC(C)CC2)n(C)n1
InChIInChI=1S/C13H24N4/c1-4-5-11-15-12(17(3)16-11)13(14)8-6-10(2)7-9-13/h10H,4-9,14H2,1-3H3
InChIKeySAKYSKHFRXYFOB-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-(2-methyl-5-propyl-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 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine (CID 55111230) is 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is CCCc1nc(C2(N)CCC(C)CC2)n(C)n1.
What is the InChIKey of 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
The InChIKey is SAKYSKHFRXYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-5-11-15-12(17(3)16-11)13(14)8-6-10(2)7-9-13/h10H,4-9,14H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine?
4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 55111230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).