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

C13H24N4 — CID 55147056

IUPACN-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C13H24N4/c1-10(2)8-14-9-12-15-13(17-16-12)11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWETAOWVKBPNEHZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.60
Rot. Bonds5

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

N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 55147056) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID55147056
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C13H24N4/c1-10(2)8-14-9-12-15-13(17-16-12)11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWETAOWVKBPNEHZ-UHFFFAOYSA-N
XLogP2.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine (CID 55147056) is N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is WETAOWVKBPNEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)8-14-9-12-15-13(17-16-12)11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1H-1,2,4-triazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 55147056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).