1-ethyl-3-(2-methylpropyl)pyrazin-2-one

C10H16N2O — CID 165138880

IUPAC1-ethyl-3-(2-methylpropyl)pyrazin-2-one
SMILESCCn1ccnc(CC(C)C)c1=O
InChIInChI=1S/C10H16N2O/c1-4-12-6-5-11-9(10(12)13)7-8(2)3/h5-6,8H,4,7H2,1-3H3
InChIKeyURVFLURMRUVVJS-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.46
Rot. Bonds3

About 1-ethyl-3-(2-methylpropyl)pyrazin-2-one

1-ethyl-3-(2-methylpropyl)pyrazin-2-one (PubChem CID 165138880) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)pyrazin-2-one
PubChem CID165138880
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-ethyl-3-(2-methylpropyl)pyrazin-2-one
SMILESCCn1ccnc(CC(C)C)c1=O
InChIInChI=1S/C10H16N2O/c1-4-12-6-5-11-9(10(12)13)7-8(2)3/h5-6,8H,4,7H2,1-3H3
InChIKeyURVFLURMRUVVJS-UHFFFAOYSA-N
XLogP1.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-(2-methylpropyl)pyrazin-2-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 1-ethyl-3-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)pyrazin-2-one (CID 165138880) is 1-ethyl-3-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)pyrazin-2-one is CCn1ccnc(CC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)pyrazin-2-one?
The InChIKey is URVFLURMRUVVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-12-6-5-11-9(10(12)13)7-8(2)3/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 1-ethyl-3-(2-methylpropyl)pyrazin-2-one?
1-ethyl-3-(2-methylpropyl)pyrazin-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 165138880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).