1-(3-methylbutyl)pyrazin-2-one

C9H14N2O — CID 6428852

IUPAC1-(3-methylbutyl)pyrazin-2-one
SMILESCC(C)CCn1ccncc1=O
InChIInChI=1S/C9H14N2O/c1-8(2)3-5-11-6-4-10-7-9(11)12/h4,6-8H,3,5H2,1-2H3
InChIKeyQCYOIQFMHDRGQU-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.29
Rot. Bonds3

About 1-(3-methylbutyl)pyrazin-2-one

1-(3-methylbutyl)pyrazin-2-one (PubChem CID 6428852) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(3-methylbutyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(3-methylbutyl)pyrazin-2-one
PubChem CID6428852
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(3-methylbutyl)pyrazin-2-one
SMILESCC(C)CCn1ccncc1=O
InChIInChI=1S/C9H14N2O/c1-8(2)3-5-11-6-4-10-7-9(11)12/h4,6-8H,3,5H2,1-2H3
InChIKeyQCYOIQFMHDRGQU-UHFFFAOYSA-N
XLogP1.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylbutyl)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

Related Compounds

1-(3,3,3-Trifluoro-2-methylpropyl)pyrazin-2-one
CID 68865045
1-(3-Iodo-2,2-dimethylpropyl)pyrazin-2-one
CID 146169850
1-(2-Fluorobutyl)pyrazin-2-one
CID 130645013
5-Methoxy-1-(2-methylpropyl)pyrazin-2-one
CID 19739905
1-Tert-butylpyrazin-2-one
CID 20658707
1-(2-Methylpropyl)pyrazin-2-one
CID 58125219
1-Butan-2-ylpyrazin-2-one
CID 66924608
1-Pentylpyrazin-2-one
CID 68772025
1-Pentan-2-ylpyrazin-2-one
CID 70142823
1-(2-Methylbutan-2-yl)pyrazin-2-one
CID 89111863
1-Propylpyrazin-2-one
CID 118932920
1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one
CID 141060430

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)pyrazin-2-one?
The IUPAC name of 1-(3-methylbutyl)pyrazin-2-one (CID 6428852) is 1-(3-methylbutyl)pyrazin-2-one.
What is the SMILES notation for 1-(3-methylbutyl)pyrazin-2-one?
The canonical SMILES for 1-(3-methylbutyl)pyrazin-2-one is CC(C)CCn1ccncc1=O.
What is the InChIKey of 1-(3-methylbutyl)pyrazin-2-one?
The InChIKey is QCYOIQFMHDRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(2)3-5-11-6-4-10-7-9(11)12/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)pyrazin-2-one?
1-(3-methylbutyl)pyrazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)pyrazin-2-one is sourced from PubChem (CID 6428852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).