4-methoxy-1-pyrazin-2-ylbutan-1-one

C9H12N2O2 — CID 62620232

IUPAC4-methoxy-1-pyrazin-2-ylbutan-1-one
SMILESCOCCCC(=O)c1cnccn1
InChIInChI=1S/C9H12N2O2/c1-13-6-2-3-9(12)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3
InChIKeyITHLSJADOIZVSR-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds5

About 4-methoxy-1-pyrazin-2-ylbutan-1-one

4-methoxy-1-pyrazin-2-ylbutan-1-one (PubChem CID 62620232) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methoxy-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-methoxy-1-pyrazin-2-ylbutan-1-one
PubChem CID62620232
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-methoxy-1-pyrazin-2-ylbutan-1-one
SMILESCOCCCC(=O)c1cnccn1
InChIInChI=1S/C9H12N2O2/c1-13-6-2-3-9(12)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3
InChIKeyITHLSJADOIZVSR-UHFFFAOYSA-N
XLogP1.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-pyrazin-2-ylbutan-1-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-pyrazin-2-ylhexan-1-one
CID 22507174
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 65098159
7-amino-1-pyrazin-2-ylheptan-1-one
CID 116551534
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one
CID 104737858
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
CID 103147034
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
5-methoxy-N-pyrazin-2-ylpentanamide
CID 75485096
4-methoxy-1-quinoxalin-2-ylbutan-1-one
CID 107356829
4-methoxy-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-one
CID 105135540

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 4-methoxy-1-pyrazin-2-ylbutan-1-one (CID 62620232) is 4-methoxy-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 4-methoxy-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 4-methoxy-1-pyrazin-2-ylbutan-1-one is COCCCC(=O)c1cnccn1.
What is the InChIKey of 4-methoxy-1-pyrazin-2-ylbutan-1-one?
The InChIKey is ITHLSJADOIZVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-6-2-3-9(12)8-7-10-4-5-11-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-methoxy-1-pyrazin-2-ylbutan-1-one?
4-methoxy-1-pyrazin-2-ylbutan-1-one has a molecular weight of 180.21 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 62620232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).