1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde

C9H7N3O2 — CID 138667814

IUPAC1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1c(=O)cnc2ncc(C=O)cc21
InChIInChI=1S/C9H7N3O2/c1-12-7-2-6(5-13)3-10-9(7)11-4-8(12)14/h2-5H,1H3
InChIKeyGPBJMWCMNZYDNM-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.14
Rot. Bonds1

About 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde

1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 138667814) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
PubChem CID138667814
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1c(=O)cnc2ncc(C=O)cc21
InChIInChI=1S/C9H7N3O2/c1-12-7-2-6(5-13)3-10-9(7)11-4-8(12)14/h2-5H,1H3
InChIKeyGPBJMWCMNZYDNM-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde (CID 138667814) is 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde is Cn1c(=O)cnc2ncc(C=O)cc21.
What is the InChIKey of 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is GPBJMWCMNZYDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-12-7-2-6(5-13)3-10-9(7)11-4-8(12)14/h2-5H,1H3.
What are the key properties of 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde?
1-methyl-2-oxopyrido[2,3-b]pyrazine-7-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 1-methyl-2-oxopyrido[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 138667814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).