1-pyrido[3,4-b]pyrazin-3-ylethanone

C9H7N3O — CID 84654616

IUPAC1-pyrido[3,4-b]pyrazin-3-ylethanone
SMILESCC(=O)c1cnc2ccncc2n1
InChIInChI=1S/C9H7N3O/c1-6(13)8-5-11-7-2-3-10-4-9(7)12-8/h2-5H,1H3
InChIKeyNKIRNBKHWKYRMF-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.23
Rot. Bonds1

About 1-pyrido[3,4-b]pyrazin-3-ylethanone

1-pyrido[3,4-b]pyrazin-3-ylethanone (PubChem CID 84654616) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-pyrido[3,4-b]pyrazin-3-ylethanone.

Molecular Properties

Compound Name1-pyrido[3,4-b]pyrazin-3-ylethanone
PubChem CID84654616
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name1-pyrido[3,4-b]pyrazin-3-ylethanone
SMILESCC(=O)c1cnc2ccncc2n1
InChIInChI=1S/C9H7N3O/c1-6(13)8-5-11-7-2-3-10-4-9(7)12-8/h2-5H,1H3
InChIKeyNKIRNBKHWKYRMF-UHFFFAOYSA-N
XLogP1.23
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

isoquinoline;quinoxaline-2-carboxylic acid
CID 159466037
2-amino-1-pyrido[3,4-b]pyrazin-3-ylpropan-1-ol
CID 84672357
N-[(Z)-1-quinoxalin-2-ylethylideneamino]pyridine-4-carboxamide
CID 26974464
N-pyrido[3,4-d]pyrimidin-2-ylacetamide
CID 67452729
1,6-naphthyridine-2-carboxylate
CID 6930972
1,6-naphthyridine-2-carboxylic acid;hydrochloride
CID 170943375
1,6-naphthyridine-3-carboxylate
CID 19816512
N-(4-acetyl-1,3-thiazol-2-yl)quinoxaline-2-carboxamide
CID 26469458
3,6-diacetylpyrazine-2-carboxamide
CID 155203547
pyrido[3,4-b]pyrazine-2-carbaldehyde
CID 151212996
2-methoxypyrido[3,4-b]pyrazine
CID 118866436
tert-butyl 1,6-naphthyridine-2-carboxylate
CID 156739271

Frequently Asked Questions

What is the IUPAC name of 1-pyrido[3,4-b]pyrazin-3-ylethanone?
The IUPAC name of 1-pyrido[3,4-b]pyrazin-3-ylethanone (CID 84654616) is 1-pyrido[3,4-b]pyrazin-3-ylethanone.
What is the SMILES notation for 1-pyrido[3,4-b]pyrazin-3-ylethanone?
The canonical SMILES for 1-pyrido[3,4-b]pyrazin-3-ylethanone is CC(=O)c1cnc2ccncc2n1.
What is the InChIKey of 1-pyrido[3,4-b]pyrazin-3-ylethanone?
The InChIKey is NKIRNBKHWKYRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-6(13)8-5-11-7-2-3-10-4-9(7)12-8/h2-5H,1H3.
What are the key properties of 1-pyrido[3,4-b]pyrazin-3-ylethanone?
1-pyrido[3,4-b]pyrazin-3-ylethanone has a molecular weight of 173.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrido[3,4-b]pyrazin-3-ylethanone is sourced from PubChem (CID 84654616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).