2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one

C11H20N4O — CID 104748113

IUPAC2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CC(N)C2CCCCC2)c1=O
InChIInChI=1S/C11H20N4O/c1-14-8-13-15(11(14)16)7-10(12)9-5-3-2-4-6-9/h8-10H,2-7,12H2,1H3
InChIKeyKWZGVPSLNKRJTG-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.49
Rot. Bonds3

About 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one

2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one (PubChem CID 104748113) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one
PubChem CID104748113
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CC(N)C2CCCCC2)c1=O
InChIInChI=1S/C11H20N4O/c1-14-8-13-15(11(14)16)7-10(12)9-5-3-2-4-6-9/h8-10H,2-7,12H2,1H3
InChIKeyKWZGVPSLNKRJTG-UHFFFAOYSA-N
XLogP0.49
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one 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 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one (CID 104748113) is 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one is Cn1cnn(CC(N)C2CCCCC2)c1=O.
What is the InChIKey of 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one?
The InChIKey is KWZGVPSLNKRJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-8-13-15(11(14)16)7-10(12)9-5-3-2-4-6-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one?
2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one has a molecular weight of 224.31 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-cyclohexylethyl)-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 104748113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).