4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione

C14H11N3O2 — CID 50742664

IUPAC4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H11N3O2/c18-13-14(19)17(9-10-5-2-1-3-6-10)12-11(16-13)7-4-8-15-12/h1-8H,9H2,(H,16,18)
InChIKeySTXRZXASFIXKPI-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.13
Rot. Bonds2

About 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione

4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 50742664) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID50742664
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESO=c1[nH]c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C14H11N3O2/c18-13-14(19)17(9-10-5-2-1-3-6-10)12-11(16-13)7-4-8-15-12/h1-8H,9H2,(H,16,18)
InChIKeySTXRZXASFIXKPI-UHFFFAOYSA-N
XLogP1.13
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione 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

N-[(2,4-dimethoxyphenyl)methyl]-4-[(2,3-dioxo-1H-pyrido[2,3-b]pyrazin-4-yl)methyl]benzamide
CID 46283236
ethane;3-ethyl-1H-imidazo[4,5-b]pyridin-2-one
CID 91018221
3-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 121199603
4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565456
2-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)acetonitrile
CID 83415021
3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 134794147
3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 121199602
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
1,3-dibenzylpteridine-2,4-dione
CID 13328593
5-benzyl-2-methyl-[1,3]oxazolo[4,5-c][1,8]naphthyridin-4-one
CID 132576054
3-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-b]pyridin-2-one;molecular hydrogen
CID 142993059
4-amino-8-benzyl-2-benzylsulfanyl-5H-pteridine-6,7-dione
CID 25269044

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 50742664) is 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione is O=c1[nH]c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is STXRZXASFIXKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-13-14(19)17(9-10-5-2-1-3-6-10)12-11(16-13)7-4-8-15-12/h1-8H,9H2,(H,16,18).
What are the key properties of 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione?
4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 253.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 50742664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).