pyrido[3,4-b]pyrazine-2-carbaldehyde

C8H5N3O — CID 151212996

IUPACpyrido[3,4-b]pyrazine-2-carbaldehyde
SMILESO=Cc1cnc2cnccc2n1
InChIInChI=1S/C8H5N3O/c12-5-6-3-10-8-4-9-2-1-7(8)11-6/h1-5H
InChIKeyNKQYTUJFEPCUAJ-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.84
Rot. Bonds1

About pyrido[3,4-b]pyrazine-2-carbaldehyde

pyrido[3,4-b]pyrazine-2-carbaldehyde (PubChem CID 151212996) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is pyrido[3,4-b]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Namepyrido[3,4-b]pyrazine-2-carbaldehyde
PubChem CID151212996
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Namepyrido[3,4-b]pyrazine-2-carbaldehyde
SMILESO=Cc1cnc2cnccc2n1
InChIInChI=1S/C8H5N3O/c12-5-6-3-10-8-4-9-2-1-7(8)11-6/h1-5H
InChIKeyNKQYTUJFEPCUAJ-UHFFFAOYSA-N
XLogP0.84
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypyrido[3,4-b]pyrazine
CID 118866436
pyrazine-2,6-dicarbaldehyde
CID 23496663
hydron;N-(1,6-naphthyridin-3-yl)formamide
CID 174959508
8-bromoquinoxaline-2-carbaldehyde
CID 131849321
1,7-naphthyridine-4-carbaldehyde
CID 87323322
ethane;pyrazine-2-carbaldehyde
CID 145021385
2-thiophen-2-ylpyrido[3,4-b]pyrazine
CID 19063766
1-pyrido[3,4-b]pyrazin-3-ylethanone
CID 84654616
[1,3]dioxolo[4,5-h]quinoxaline-8-carbaldehyde
CID 142031110
5-[(Z)-2-quinoxalin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
CID 102420230
2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 84649151
pyrido[4,3-d]pyrimidine;dihydrochloride
CID 57495363

Frequently Asked Questions

What is the IUPAC name of pyrido[3,4-b]pyrazine-2-carbaldehyde?
The IUPAC name of pyrido[3,4-b]pyrazine-2-carbaldehyde (CID 151212996) is pyrido[3,4-b]pyrazine-2-carbaldehyde.
What is the SMILES notation for pyrido[3,4-b]pyrazine-2-carbaldehyde?
The canonical SMILES for pyrido[3,4-b]pyrazine-2-carbaldehyde is O=Cc1cnc2cnccc2n1.
What is the InChIKey of pyrido[3,4-b]pyrazine-2-carbaldehyde?
The InChIKey is NKQYTUJFEPCUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c12-5-6-3-10-8-4-9-2-1-7(8)11-6/h1-5H.
What are the key properties of pyrido[3,4-b]pyrazine-2-carbaldehyde?
pyrido[3,4-b]pyrazine-2-carbaldehyde has a molecular weight of 159.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[3,4-b]pyrazine-2-carbaldehyde is sourced from PubChem (CID 151212996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).