5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one

C11H17N3O — CID 126953789

IUPAC5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one
SMILESC=CCn1c(C2CCCC2)nn(C)c1=O
InChIInChI=1S/C11H17N3O/c1-3-8-14-10(9-6-4-5-7-9)12-13(2)11(14)15/h3,9H,1,4-8H2,2H3
InChIKeyQHOJFFMNGRHFRF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.43
Rot. Bonds3

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

5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one (PubChem CID 126953789) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one
PubChem CID126953789
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one
SMILESC=CCn1c(C2CCCC2)nn(C)c1=O
InChIInChI=1S/C11H17N3O/c1-3-8-14-10(9-6-4-5-7-9)12-13(2)11(14)15/h3,9H,1,4-8H2,2H3
InChIKeyQHOJFFMNGRHFRF-UHFFFAOYSA-N
XLogP1.43
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one (CID 126953789) is 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one is C=CCn1c(C2CCCC2)nn(C)c1=O.
What is the InChIKey of 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one?
The InChIKey is QHOJFFMNGRHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-8-14-10(9-6-4-5-7-9)12-13(2)11(14)15/h3,9H,1,4-8H2,2H3.
What are the key properties of 5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one?
5-cyclopentyl-2-methyl-4-prop-2-enyl-1,2,4-triazol-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.43, 3 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-prop-2-enyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).