7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C8H8BrN3O — CID 79301925

IUPAC7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1Nc2ncc(Br)cc2NC1=O
InChIInChI=1S/C8H8BrN3O/c1-4-8(13)12-6-2-5(9)3-10-7(6)11-4/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyBTHACVPWDJRCGM-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.60
Rot. Bonds

About 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 79301925) has the molecular formula C8H8BrN3O and a molecular weight of 242.08 g/mol. Its IUPAC name is 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID79301925
Molecular FormulaC8H8BrN3O
Molecular Weight242.08 g/mol
Exact Mass240.99
IUPAC Name7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC1Nc2ncc(Br)cc2NC1=O
InChIInChI=1S/C8H8BrN3O/c1-4-8(13)12-6-2-5(9)3-10-7(6)11-4/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyBTHACVPWDJRCGM-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 79301925) is 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is CC1Nc2ncc(Br)cc2NC1=O.
What is the InChIKey of 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is BTHACVPWDJRCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O/c1-4-8(13)12-6-2-5(9)3-10-7(6)11-4/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 242.08 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 79301925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).