1-pyrazin-2-ylhexan-1-one

C10H14N2O — CID 22507174

IUPAC1-pyrazin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2O/c1-2-3-4-5-10(13)9-8-11-6-7-12-9/h6-8H,2-5H2,1H3
InChIKeyYGFVVWJPJVDJGW-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.24
Rot. Bonds5

About 1-pyrazin-2-ylhexan-1-one

1-pyrazin-2-ylhexan-1-one (PubChem CID 22507174) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-pyrazin-2-ylhexan-1-one.

Molecular Properties

Compound Name1-pyrazin-2-ylhexan-1-one
PubChem CID22507174
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-pyrazin-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2O/c1-2-3-4-5-10(13)9-8-11-6-7-12-9/h6-8H,2-5H2,1H3
InChIKeyYGFVVWJPJVDJGW-UHFFFAOYSA-N
XLogP2.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-pyrazin-2-ylhexan-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

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylhexan-1-one?
The IUPAC name of 1-pyrazin-2-ylhexan-1-one (CID 22507174) is 1-pyrazin-2-ylhexan-1-one.
What is the SMILES notation for 1-pyrazin-2-ylhexan-1-one?
The canonical SMILES for 1-pyrazin-2-ylhexan-1-one is CCCCCC(=O)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylhexan-1-one?
The InChIKey is YGFVVWJPJVDJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-3-4-5-10(13)9-8-11-6-7-12-9/h6-8H,2-5H2,1H3.
What are the key properties of 1-pyrazin-2-ylhexan-1-one?
1-pyrazin-2-ylhexan-1-one has a molecular weight of 178.24 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylhexan-1-one is sourced from PubChem (CID 22507174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).