3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one

C12H13N3O2 — CID 115650170

IUPAC3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
SMILESCOc1ccccc1CNc1ncc[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-17-10-5-3-2-4-9(10)8-15-11-12(16)14-7-6-13-11/h2-7H,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyOLKFLUXOENJPGT-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.39
Rot. Bonds4

About 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one

3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one (PubChem CID 115650170) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
PubChem CID115650170
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
SMILESCOc1ccccc1CNc1ncc[nH]c1=O
InChIInChI=1S/C12H13N3O2/c1-17-10-5-3-2-4-9(10)8-15-11-12(16)14-7-6-13-11/h2-7H,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyOLKFLUXOENJPGT-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-methoxyphenyl)methylamino]-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

Related Compounds

3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
1-(3,4-dimethoxyphenyl)-3-[(2-methoxyphenyl)methylamino]pyrazin-2-one
CID 20941640
4-chloro-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 24903327
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 103858282
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012041
3-[2-[2-(2-aminoethoxy)phenyl]propan-2-ylamino]-1H-pyrazin-2-one
CID 141324224
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one (CID 115650170) is 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one is COc1ccccc1CNc1ncc[nH]c1=O.
What is the InChIKey of 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one?
The InChIKey is OLKFLUXOENJPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-10-5-3-2-4-9(10)8-15-11-12(16)14-7-6-13-11/h2-7H,8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one?
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one has a molecular weight of 231.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 115650170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).