7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C14H15N3O2 — CID 140931610

IUPAC7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1cccnc1)C2
InChIInChI=1S/C14H15N3O2/c18-13-6-12-9-16(4-5-17(12)10-14(13)19)8-11-2-1-3-15-7-11/h1-3,6-7,10,19H,4-5,8-9H2
InChIKeyPCJVRCMNWOOMBT-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.96
Rot. Bonds2

About 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 140931610) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID140931610
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(Cc1cccnc1)C2
InChIInChI=1S/C14H15N3O2/c18-13-6-12-9-16(4-5-17(12)10-14(13)19)8-11-2-1-3-15-7-11/h1-3,6-7,10,19H,4-5,8-9H2
InChIKeyPCJVRCMNWOOMBT-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 140931610) is 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(Cc1cccnc1)C2.
What is the InChIKey of 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is PCJVRCMNWOOMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-6-12-9-16(4-5-17(12)10-14(13)19)8-11-2-1-3-15-7-11/h1-3,6-7,10,19H,4-5,8-9H2.
What are the key properties of 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 257.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 140931610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).