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

C14H22N2O2 — CID 129165444

IUPAC2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCC(CC)CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C14H22N2O2/c1-3-11(4-2)8-15-5-6-16-10-14(18)13(17)7-12(16)9-15/h7,10-11,18H,3-6,8-9H2,1-2H3
InChIKeyDEXWPQYWPXPZTH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds4

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

2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165444) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165444
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESCCC(CC)CN1CCn2cc(O)c(=O)cc2C1
InChIInChI=1S/C14H22N2O2/c1-3-11(4-2)8-15-5-6-16-10-14(18)13(17)7-12(16)9-15/h7,10-11,18H,3-6,8-9H2,1-2H3
InChIKeyDEXWPQYWPXPZTH-UHFFFAOYSA-N
XLogP1.81
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165444) is 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is CCC(CC)CN1CCn2cc(O)c(=O)cc2C1.
What is the InChIKey of 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is DEXWPQYWPXPZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-11(4-2)8-15-5-6-16-10-14(18)13(17)7-12(16)9-15/h7,10-11,18H,3-6,8-9H2,1-2H3.
What are the key properties of 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 250.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).