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

C12H22N4 — CID 64672298

IUPAC1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCC(C)n1cnnc1CC1(N)CCCCC1
InChIInChI=1S/C12H22N4/c1-10(2)16-9-14-15-11(16)8-12(13)6-4-3-5-7-12/h9-10H,3-8,13H2,1-2H3
InChIKeyAHLRCTRIUIJCMT-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.06
Rot. Bonds3

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

1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 64672298) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID64672298
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCC(C)n1cnnc1CC1(N)CCCCC1
InChIInChI=1S/C12H22N4/c1-10(2)16-9-14-15-11(16)8-12(13)6-4-3-5-7-12/h9-10H,3-8,13H2,1-2H3
InChIKeyAHLRCTRIUIJCMT-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]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 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 64672298) is 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is CC(C)n1cnnc1CC1(N)CCCCC1.
What is the InChIKey of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is AHLRCTRIUIJCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-9-14-15-11(16)8-12(13)6-4-3-5-7-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64672298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).