3-Methyl-4-oxo-N-(2-oxo-2-phenylethyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

HCID 66831766
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Basic information

Standard SMILES
Cn1nnc2c(C(=O)NCC(=O)c3ccccc3)ncn2c1=O
InChIKey
BXKHMKBAKHQSGF-UHFFFAOYSA-N
Molecular formula
C14H12N6O3
Average molar mass
312.28 g/mol

Names & identifiers

Preferred name
3-Methyl-4-oxo-N-(2-oxo-2-phenylethyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
IUPAC
3-methyl-4-oxo-N-phenacylimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Names & synonyms

SCHEMBL892105BXKHMKBAKHQSGF-UHFFFAOYSA-N3-Methyl-4-oxo-N-(2-oxo-2-phenylethyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Database identifiers

PubChem CID
66831766

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
109 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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