4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one

C11H20N4O — CID 82841163

IUPAC4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
SMILESCCNc1nn(C)c(=O)n1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-3-12-10-13-14(2)11(16)15(10)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyPWEFBIWKOCSFBQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.52
Rot. Bonds3

About 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one

4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one (PubChem CID 82841163) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
PubChem CID82841163
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one
SMILESCCNc1nn(C)c(=O)n1C1CCCCC1
InChIInChI=1S/C11H20N4O/c1-3-12-10-13-14(2)11(16)15(10)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyPWEFBIWKOCSFBQ-UHFFFAOYSA-N
XLogP1.52
TPSA51.85 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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclohexyl-5-(ethylamino)-2-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 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one (CID 82841163) is 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one is CCNc1nn(C)c(=O)n1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
The InChIKey is PWEFBIWKOCSFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-12-10-13-14(2)11(16)15(10)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one?
4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one has a molecular weight of 224.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-5-(ethylamino)-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 82841163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).