3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one

C8H9N2O+ — CID 86209565

IUPAC3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
SMILESO=C1NCC[n+]2ccccc21
InChIInChI=1S/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1
InChIKeyLCIXSECGVFWZKB-UHFFFAOYSA-O
MW149.17 g/mol
LogP-0.28
Rot. Bonds

About 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one

3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one (PubChem CID 86209565) has the molecular formula C8H9N2O+ and a molecular weight of 149.17 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
PubChem CID86209565
Molecular FormulaC8H9N2O+
Molecular Weight149.17 g/mol
Exact Mass149.07
IUPAC Name3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
SMILESO=C1NCC[n+]2ccccc21
InChIInChI=1S/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1
InChIKeyLCIXSECGVFWZKB-UHFFFAOYSA-O
XLogP-0.28
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
The IUPAC name of 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one (CID 86209565) is 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one.
What is the SMILES notation for 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
The canonical SMILES for 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one is O=C1NCC[n+]2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
The InChIKey is LCIXSECGVFWZKB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h1-3,5H,4,6H2/p+1.
What are the key properties of 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one has a molecular weight of 149.17 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrido[1,2-a]pyrazin-5-ium-1-one is sourced from PubChem (CID 86209565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).