3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one

C7H9N3O — CID 69462013

IUPAC3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one
SMILESNC=CCc1ncc[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-3-1-2-6-7(11)10-5-4-9-6/h1,3-5H,2,8H2,(H,10,11)
InChIKeyRGYILAFLFFWYMR-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.22
Rot. Bonds2

About 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one

3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one (PubChem CID 69462013) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one
PubChem CID69462013
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one
SMILESNC=CCc1ncc[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-3-1-2-6-7(11)10-5-4-9-6/h1,3-5H,2,8H2,(H,10,11)
InChIKeyRGYILAFLFFWYMR-UHFFFAOYSA-N
XLogP-0.22
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-aminoprop-2-enyl)-1H-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 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one (CID 69462013) is 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one is NC=CCc1ncc[nH]c1=O.
What is the InChIKey of 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
The InChIKey is RGYILAFLFFWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-3-1-2-6-7(11)10-5-4-9-6/h1,3-5H,2,8H2,(H,10,11).
What are the key properties of 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one?
3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one has a molecular weight of 151.17 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-2-enyl)-1H-pyrazin-2-one is sourced from PubChem (CID 69462013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).