2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one

C14H13N3O — CID 79290702

IUPAC2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cnccc2NC1Cc1ccccc1
InChIInChI=1S/C14H13N3O/c18-14-12(8-10-4-2-1-3-5-10)16-11-6-7-15-9-13(11)17-14/h1-7,9,12,16H,8H2,(H,17,18)
InChIKeyCVSFAPUOLHIORE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.06
Rot. Bonds2

About 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one

2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 79290702) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
PubChem CID79290702
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1Nc2cnccc2NC1Cc1ccccc1
InChIInChI=1S/C14H13N3O/c18-14-12(8-10-4-2-1-3-5-10)16-11-6-7-15-9-13(11)17-14/h1-7,9,12,16H,8H2,(H,17,18)
InChIKeyCVSFAPUOLHIORE-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one (CID 79290702) is 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one is O=C1Nc2cnccc2NC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is CVSFAPUOLHIORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14-12(8-10-4-2-1-3-5-10)16-11-6-7-15-9-13(11)17-14/h1-7,9,12,16H,8H2,(H,17,18).
What are the key properties of 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 239.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 79290702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).