2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one

C8H13N3O — CID 135698166

IUPAC2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one
SMILESCc1nn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-6-9-8(12)11(10-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,9,10,12)
InChIKeyPRZWZWGGVJSJTF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.99
Rot. Bonds1

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

2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one (PubChem CID 135698166) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one
PubChem CID135698166
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one
SMILESCc1nn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-6-9-8(12)11(10-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,9,10,12)
InChIKeyPRZWZWGGVJSJTF-UHFFFAOYSA-N
XLogP0.99
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136340527
3-methyl-1-(piperidin-4-yl)-1H-1,2,4-triazol-5-ol
CID 136313211
5-(difluoromethyl)-2-pentyl-4H-1,2,4-triazol-3-one
CID 136486213
4-amino-N-cyclopentyl-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 14405218
5-butyl-2-(2,2-dimethylpropyl)-4H-1,2,4-triazol-3-one
CID 135453824
2,5-di(propan-2-yl)-4H-1,2,4-triazol-3-one
CID 135973345
2-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-one
CID 156528431
5-butyl-2-cyclohexyl-4H-1,2,4-triazol-3-one
CID 167442617
5-butyl-2-cyclopropyl-4H-1,2,4-triazol-3-one
CID 176721463
5-methyl-2-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136313207
5-(aminomethyl)-2-cyclopentyl-4H-1,2,4-triazol-3-one
CID 136966006
2-ethyl-5-pyrrolidin-2-yl-4H-1,2,4-triazol-3-one
CID 136966011

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one (CID 135698166) is 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one is Cc1nn(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one?
The InChIKey is PRZWZWGGVJSJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-9-8(12)11(10-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,9,10,12).
What are the key properties of 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one?
2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one has a molecular weight of 167.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 135698166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).