4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde

C9H7N3O2 — CID 86730915

IUPAC4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
SMILESCn1c(=O)c(C=O)nc2cccnc21
InChIInChI=1S/C9H7N3O2/c1-12-8-6(3-2-4-10-8)11-7(5-13)9(12)14/h2-5H,1H3
InChIKeyDQQJVZNZFSBWRR-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.14
Rot. Bonds1

About 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde

4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde (PubChem CID 86730915) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
PubChem CID86730915
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde
SMILESCn1c(=O)c(C=O)nc2cccnc21
InChIInChI=1S/C9H7N3O2/c1-12-8-6(3-2-4-10-8)11-7(5-13)9(12)14/h2-5H,1H3
InChIKeyDQQJVZNZFSBWRR-UHFFFAOYSA-N
XLogP0.14
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
CID 144894477
2-hydrazinyl-4-methylpyrido[2,3-b]pyrazin-3-one
CID 71786184
4-methylpyrido[2,3-e][1,2,4]triazin-3-one
CID 59061424
N-butan-2-yl-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53016720
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189744
2-methoxy-3-methylimidazo[4,5-b]pyridine
CID 58577407
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
CID 164662772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde?
The IUPAC name of 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde (CID 86730915) is 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde.
What is the SMILES notation for 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde?
The canonical SMILES for 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde is Cn1c(=O)c(C=O)nc2cccnc21.
What is the InChIKey of 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde?
The InChIKey is DQQJVZNZFSBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-12-8-6(3-2-4-10-8)11-7(5-13)9(12)14/h2-5H,1H3.
What are the key properties of 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde?
4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde has a molecular weight of 189.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carbaldehyde is sourced from PubChem (CID 86730915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).