Basic information
- Standard SMILES
Cn1nnc2c(C(N)=S)ncn2c1=O- InChIKey
UNCSYWYTUBIMHD-UHFFFAOYSA-N- Molecular formula
- C6H6N6OS
- Average molar mass
- 210.22 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide
- IUPAC
- 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide
Names & synonyms
NSC689302SCHEMBL892333CHEMBL1971464UNCSYWYTUBIMHD-UHFFFAOYSA-NNSC-689302NCI60_0321803-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide
Database identifiers
- PubChem CID
- 3352880
- ChEMBL
CHEMBL1971464
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 317
Related reactions
4 records
Compound notes
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