3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide

HCID 3352880

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

Related reactions

4 records

Compound notes

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