5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one

C11H19N3O — CID 126953787

IUPAC5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCCC2)nn(C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)14-10(9-6-4-5-7-9)12-13(3)11(14)15/h8-9H,4-7H2,1-3H3
InChIKeyNKXPWJUDOPYXRX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds2

About 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one

5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 126953787) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID126953787
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCCC2)nn(C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)14-10(9-6-4-5-7-9)12-13(3)11(14)15/h8-9H,4-7H2,1-3H3
InChIKeyNKXPWJUDOPYXRX-UHFFFAOYSA-N
XLogP1.82
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-cyclopentyl-2-methyl-4-propan-2-yl-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

Related Compounds

4-Cyclohexyl-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 172450434
3-cyclopentyl-1-methyl-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953789
4-tert-butyl-1-(cyclopentylmethyl)-3-(fluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953623
1-(cyclopentylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953638
3-(1-acetylpiperidin-4-yl)-4-cyclopentyl-1-methyl-1H-1,2,4-triazol-5(4H)-one
CID 71793147
5-Butyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 89041769
3-cyclopentyl-4-cyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 117764436
2-Methyl-5-(2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-one
CID 178164740
5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56711131
2-Tert-butyl-4-cyclopentyl-5-methyl-1,2,4-triazol-3-one
CID 75522137
2-(4-(4-cyclopentyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)piperidin-1-yl)acetonitrile
CID 121117959
1-(cyclopentylmethyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953686

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (CID 126953787) is 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is CC(C)n1c(C2CCCC2)nn(C)c1=O.
What is the InChIKey of 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is NKXPWJUDOPYXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-10(9-6-4-5-7-9)12-13(3)11(14)15/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).