1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one

C14H14N3O+ — CID 139721034

IUPAC1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)c2n1cc[n+]2C
InChIInChI=1S/C14H13N3O/c1-10-12(11-6-4-3-5-7-11)15-13(18)14-16(2)8-9-17(10)14/h3-9H,1-2H3/p+1
InChIKeyRCKHRPHTJYPBKC-UHFFFAOYSA-O
MW240.29 g/mol
LogP1.43
Rot. Bonds1

About 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one

1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one (PubChem CID 139721034) has the molecular formula C14H14N3O+ and a molecular weight of 240.29 g/mol. Its IUPAC name is 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one.

Molecular Properties

Compound Name1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one
PubChem CID139721034
Molecular FormulaC14H14N3O+
Molecular Weight240.29 g/mol
Exact Mass240.11
IUPAC Name1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)c2n1cc[n+]2C
InChIInChI=1S/C14H13N3O/c1-10-12(11-6-4-3-5-7-11)15-13(18)14-16(2)8-9-17(10)14/h3-9H,1-2H3/p+1
InChIKeyRCKHRPHTJYPBKC-UHFFFAOYSA-O
XLogP1.43
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 51.43
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

5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione
CID 121221963
5,12-dimethyl-2,8-diaza-5-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15),11,13-hexaen-7-one bromide
CID 131720229
4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 54683716
1-methyl-6-[4-(trifluoromethyl)phenyl]-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide
CID 139721043
5-(1-methylpyridin-1-ium-4-yl)-4-phenyl-1,2-dihydropyrazol-3-one
CID 51403072
1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide
CID 139721044
6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide
CID 146674111
3-hydroxy-4-methyl-5-phenyl-1H-imidazole-2-thione
CID 54260632
5-methyl-4,6-diphenyl-1H-pyridin-2-one
CID 14120548
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
6-isocyano-3-methyl-2-(4-methylphenyl)-7-phenyl-1H-pyrrolo[1,2-a]imidazole
CID 58880603
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one?
The IUPAC name of 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one (CID 139721034) is 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one.
What is the SMILES notation for 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one?
The canonical SMILES for 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one is Cc1c(-c2ccccc2)[nH]c(=O)c2n1cc[n+]2C.
What is the InChIKey of 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one?
The InChIKey is RCKHRPHTJYPBKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3O/c1-10-12(11-6-4-3-5-7-11)15-13(18)14-16(2)8-9-17(10)14/h3-9H,1-2H3/p+1.
What are the key properties of 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one?
1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one has a molecular weight of 240.29 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one is sourced from PubChem (CID 139721034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).