3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one

C8H11N3O — CID 145259358

IUPAC3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one
SMILESC=C(C)n1cc[nH]c(=O)/c1=N\C
InChIInChI=1S/C8H11N3O/c1-6(2)11-5-4-10-8(12)7(11)9-3/h4-5H,1H2,2-3H3,(H,10,12)/b9-7+
InChIKeyCAAOKUNIZXXEKJ-VQHVLOKHSA-N
MW165.20 g/mol
LogP0.20
Rot. Bonds1

About 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one

3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one (PubChem CID 145259358) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one
PubChem CID145259358
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one
SMILESC=C(C)n1cc[nH]c(=O)/c1=N\C
InChIInChI=1S/C8H11N3O/c1-6(2)11-5-4-10-8(12)7(11)9-3/h4-5H,1H2,2-3H3,(H,10,12)/b9-7+
InChIKeyCAAOKUNIZXXEKJ-VQHVLOKHSA-N
XLogP0.20
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylimino-4-prop-1-en-2-yl-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-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one (CID 145259358) is 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one is C=C(C)n1cc[nH]c(=O)/c1=N\C.
What is the InChIKey of 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one?
The InChIKey is CAAOKUNIZXXEKJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(2)11-5-4-10-8(12)7(11)9-3/h4-5H,1H2,2-3H3,(H,10,12)/b9-7+.
What are the key properties of 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one?
3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-4-prop-1-en-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 145259358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).