3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one

C5H9N3O — CID 89275564

IUPAC3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one
SMILESCNC1CNC(=O)C=N1
InChIInChI=1S/C5H9N3O/c1-6-4-2-8-5(9)3-7-4/h3-4,6H,2H2,1H3,(H,8,9)
InChIKeyVZMQZWUMEKHHIJ-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.27
Rot. Bonds1

About 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one

3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 89275564) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID89275564
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one
SMILESCNC1CNC(=O)C=N1
InChIInChI=1S/C5H9N3O/c1-6-4-2-8-5(9)3-7-4/h3-4,6H,2H2,1H3,(H,8,9)
InChIKeyVZMQZWUMEKHHIJ-UHFFFAOYSA-N
XLogP-1.27
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-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-(methylamino)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one (CID 89275564) is 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one is CNC1CNC(=O)C=N1.
What is the InChIKey of 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is VZMQZWUMEKHHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-6-4-2-8-5(9)3-7-4/h3-4,6H,2H2,1H3,(H,8,9).
What are the key properties of 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one?
3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 127.15 g/mol, XLogP of -1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 89275564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).