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

C12H18N2O2 — CID 155518634

IUPAC7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(C)CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C12H18N2O2/c1-9(2)6-13-3-4-14-8-12(16)11(15)5-10(14)7-13/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyCXWVUJOIZXBAME-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.03
Rot. Bonds2

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

7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 155518634) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID155518634
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCC(C)CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C12H18N2O2/c1-9(2)6-13-3-4-14-8-12(16)11(15)5-10(14)7-13/h5,8-9,16H,3-4,6-7H2,1-2H3
InChIKeyCXWVUJOIZXBAME-UHFFFAOYSA-N
XLogP1.03
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 155518634) is 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CC(C)CN1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is CXWVUJOIZXBAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)6-13-3-4-14-8-12(16)11(15)5-10(14)7-13/h5,8-9,16H,3-4,6-7H2,1-2H3.
What are the key properties of 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 222.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 155518634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).