6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one

C14H14N3O2+ — CID 89414063

IUPAC6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one
SMILESCOc1cccc(-c2cn3c[n+](C)cc3c(=O)[nH]2)c1
InChIInChI=1S/C14H13N3O2/c1-16-8-13-14(18)15-12(7-17(13)9-16)10-4-3-5-11(6-10)19-2/h3-9H,1-2H3/p+1
InChIKeyJPJGDIXSHWDTDP-UHFFFAOYSA-O
MW256.28 g/mol
LogP1.13
Rot. Bonds2

About 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one

6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one (PubChem CID 89414063) has the molecular formula C14H14N3O2+ and a molecular weight of 256.28 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one
PubChem CID89414063
Molecular FormulaC14H14N3O2+
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one
SMILESCOc1cccc(-c2cn3c[n+](C)cc3c(=O)[nH]2)c1
InChIInChI=1S/C14H13N3O2/c1-16-8-13-14(18)15-12(7-17(13)9-16)10-4-3-5-11(6-10)19-2/h3-9H,1-2H3/p+1
InChIKeyJPJGDIXSHWDTDP-UHFFFAOYSA-O
XLogP1.13
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyphenyl)-2H-pyrido[1,2-a]pyrazin-5-ium-1-one
CID 171984010
3-(4-methoxyphenyl)-7-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 143881274
3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
CID 142740971
ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
6-(3-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472841
6-(3-methoxyphenyl)-4-phenyl-1H-pyridin-2-one
CID 10062054
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one
CID 91050599
4-(4-tert-butylphenyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657125
6-fluoro-2-(3-methoxyphenyl)-1H-quinolin-4-one
CID 22481024
6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135836115

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one?
The IUPAC name of 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one (CID 89414063) is 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one?
The canonical SMILES for 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one is COc1cccc(-c2cn3c[n+](C)cc3c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one?
The InChIKey is JPJGDIXSHWDTDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3O2/c1-16-8-13-14(18)15-12(7-17(13)9-16)10-4-3-5-11(6-10)19-2/h3-9H,1-2H3/p+1.
What are the key properties of 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one?
6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one has a molecular weight of 256.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-methyl-7H-imidazo[1,5-a]pyrazin-2-ium-8-one is sourced from PubChem (CID 89414063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).