2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C15H16N2O2 — CID 129165376

IUPAC2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2O2/c18-14-8-13-10-16(6-7-17(13)11-15(14)19)9-12-4-2-1-3-5-12/h1-5,8,11,19H,6-7,9-10H2
InChIKeyKAPWGNWNAIAKFF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.57
Rot. Bonds2

About 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165376) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165376
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H16N2O2/c18-14-8-13-10-16(6-7-17(13)11-15(14)19)9-12-4-2-1-3-5-12/h1-5,8,11,19H,6-7,9-10H2
InChIKeyKAPWGNWNAIAKFF-UHFFFAOYSA-N
XLogP1.57
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165376) is 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is KAPWGNWNAIAKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-8-13-10-16(6-7-17(13)11-15(14)19)9-12-4-2-1-3-5-12/h1-5,8,11,19H,6-7,9-10H2.
What are the key properties of 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 256.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).