1-pyrido[3,4-b]pyrazin-7-ylethanone

C9H7N3O — CID 154727194

IUPAC1-pyrido[3,4-b]pyrazin-7-ylethanone
SMILESCC(=O)c1cc2nccnc2cn1
InChIInChI=1S/C9H7N3O/c1-6(13)7-4-8-9(5-12-7)11-3-2-10-8/h2-5H,1H3
InChIKeyHZHWBQNOLOUCRS-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.23
Rot. Bonds1

About 1-pyrido[3,4-b]pyrazin-7-ylethanone

1-pyrido[3,4-b]pyrazin-7-ylethanone (PubChem CID 154727194) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-pyrido[3,4-b]pyrazin-7-ylethanone.

Molecular Properties

Compound Name1-pyrido[3,4-b]pyrazin-7-ylethanone
PubChem CID154727194
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name1-pyrido[3,4-b]pyrazin-7-ylethanone
SMILESCC(=O)c1cc2nccnc2cn1
InChIInChI=1S/C9H7N3O/c1-6(13)7-4-8-9(5-12-7)11-3-2-10-8/h2-5H,1H3
InChIKeyHZHWBQNOLOUCRS-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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Frequently Asked Questions

What is the IUPAC name of 1-pyrido[3,4-b]pyrazin-7-ylethanone?
The IUPAC name of 1-pyrido[3,4-b]pyrazin-7-ylethanone (CID 154727194) is 1-pyrido[3,4-b]pyrazin-7-ylethanone.
What is the SMILES notation for 1-pyrido[3,4-b]pyrazin-7-ylethanone?
The canonical SMILES for 1-pyrido[3,4-b]pyrazin-7-ylethanone is CC(=O)c1cc2nccnc2cn1.
What is the InChIKey of 1-pyrido[3,4-b]pyrazin-7-ylethanone?
The InChIKey is HZHWBQNOLOUCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-6(13)7-4-8-9(5-12-7)11-3-2-10-8/h2-5H,1H3.
What are the key properties of 1-pyrido[3,4-b]pyrazin-7-ylethanone?
1-pyrido[3,4-b]pyrazin-7-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-7-ylethanone is sourced from PubChem (CID 154727194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).