1-(3-methylpyrazin-2-yl)pentan-2-one

C10H14N2O — CID 83063963

IUPAC1-(3-methylpyrazin-2-yl)pentan-2-one
SMILESCCCC(=O)Cc1nccnc1C
InChIInChI=1S/C10H14N2O/c1-3-4-9(13)7-10-8(2)11-5-6-12-10/h5-6H,3-4,7H2,1-2H3
InChIKeyDRUNJCRMNLVBSV-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.70
Rot. Bonds4

About 1-(3-methylpyrazin-2-yl)pentan-2-one

1-(3-methylpyrazin-2-yl)pentan-2-one (PubChem CID 83063963) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(3-methylpyrazin-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-(3-methylpyrazin-2-yl)pentan-2-one
PubChem CID83063963
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(3-methylpyrazin-2-yl)pentan-2-one
SMILESCCCC(=O)Cc1nccnc1C
InChIInChI=1S/C10H14N2O/c1-3-4-9(13)7-10-8(2)11-5-6-12-10/h5-6H,3-4,7H2,1-2H3
InChIKeyDRUNJCRMNLVBSV-UHFFFAOYSA-N
XLogP1.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylpyrazin-2-yl)pentan-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-(3-methylpyrazin-2-yl)pentan-2-one?
The IUPAC name of 1-(3-methylpyrazin-2-yl)pentan-2-one (CID 83063963) is 1-(3-methylpyrazin-2-yl)pentan-2-one.
What is the SMILES notation for 1-(3-methylpyrazin-2-yl)pentan-2-one?
The canonical SMILES for 1-(3-methylpyrazin-2-yl)pentan-2-one is CCCC(=O)Cc1nccnc1C.
What is the InChIKey of 1-(3-methylpyrazin-2-yl)pentan-2-one?
The InChIKey is DRUNJCRMNLVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-9(13)7-10-8(2)11-5-6-12-10/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-methylpyrazin-2-yl)pentan-2-one?
1-(3-methylpyrazin-2-yl)pentan-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazin-2-yl)pentan-2-one is sourced from PubChem (CID 83063963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).