3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one

C15H13N2O2+ — CID 171984010

IUPAC3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
SMILESCOc1cccc(-c2c[n+]3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)13-10-17-8-3-2-7-14(17)15(18)16-13/h2-10H,1H3/p+1
InChIKeyDVUADCCVNZSFFJ-UHFFFAOYSA-O
MW253.28 g/mol
LogP1.79
Rot. Bonds2

About 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one

3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one (PubChem CID 171984010) has the molecular formula C15H13N2O2+ and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
PubChem CID171984010
Molecular FormulaC15H13N2O2+
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
SMILESCOc1cccc(-c2c[n+]3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)13-10-17-8-3-2-7-14(17)15(18)16-13/h2-10H,1H3/p+1
InChIKeyDVUADCCVNZSFFJ-UHFFFAOYSA-O
XLogP1.79
TPSA46.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10062054
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CID 22481024
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
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CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657125
6-(3-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472841
6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135836115
2-(3-methoxyphenyl)-7-methyl-1H-1,8-naphthyridin-4-one
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CID 135486399

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one (CID 171984010) is 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one is COc1cccc(-c2c[n+]3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
The InChIKey is DVUADCCVNZSFFJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)13-10-17-8-3-2-7-14(17)15(18)16-13/h2-10H,1H3/p+1.
What are the key properties of 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one?
3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one has a molecular weight of 253.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one is sourced from PubChem (CID 171984010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).