2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid

C14H14N2O3 — CID 10634935

IUPAC2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid
SMILESCc1nc(Cc2ccccc2)c(=O)[nH]c1CC(=O)O
InChIInChI=1S/C14H14N2O3/c1-9-11(8-13(17)18)16-14(19)12(15-9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyZHCYEDKUNKGDGW-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.30
Rot. Bonds4

About 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid

2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid (PubChem CID 10634935) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid
PubChem CID10634935
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid
SMILESCc1nc(Cc2ccccc2)c(=O)[nH]c1CC(=O)O
InChIInChI=1S/C14H14N2O3/c1-9-11(8-13(17)18)16-14(19)12(15-9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyZHCYEDKUNKGDGW-UHFFFAOYSA-N
XLogP1.30
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid 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

2-benzyl-7-methyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 132584777
(2S)-2-amino-N-[2-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 10575219
(2S)-2-amino-N-[3-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)propyl]-3-(4-hydroxyphenyl)propanamide
CID 10742481
3-(2-benzyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 135973619
(2S)-2-amino-N-[4-(6-benzyl-5-methyl-2-oxo-1H-pyrazin-3-yl)butyl]-3-(4-hydroxyphenyl)propanamide
CID 10838123
2-(4-benzyl-6-methyl-1,3,5-triazin-2-yl)acetic acid
CID 82477973
benzene-1,2-diamine;3-benzyl-1H-quinoxalin-2-one;2-oxo-3-phenylpropanoic acid
CID 160851609
5-(2-amino-4-benzyl-6-oxo-1H-pyrimidin-5-yl)pentanoic acid
CID 135450708
3-acetyl-6-benzyl-5-(2-phenylacetyl)-1H-pyridin-2-one
CID 10641246
5-benzyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 69044636
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2-(3-benzyl-7-methyl-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazin-8-yl)acetic acid
CID 82554586

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid?
The IUPAC name of 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid (CID 10634935) is 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid?
The canonical SMILES for 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid is Cc1nc(Cc2ccccc2)c(=O)[nH]c1CC(=O)O.
What is the InChIKey of 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid?
The InChIKey is ZHCYEDKUNKGDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-11(8-13(17)18)16-14(19)12(15-9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid?
2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-3-methyl-6-oxo-1H-pyrazin-2-yl)acetic acid is sourced from PubChem (CID 10634935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).