Basic information
- Standard SMILES
Cn1nncc1C(=O)c1cnnn1C- InChIKey
IUUCWBWXLSBYIT-UHFFFAOYSA-N- Molecular formula
- C7H8N6O
- Average molar mass
- 192.18 g/mol
- Monoisotopic mass
- 192.0759589
Names & identifiers
- Preferred name
- bis(1-methyl-1H-1,2,3-triazol-5-yl)methanone
- IUPAC
- bis(3-methyltriazol-4-yl)methanone
Names & synonyms
bis(1-methyl-1H-1,2,3-triazol-5-yl)methanone1599529-41-5SCHEMBL15646957IUUCWBWXLSBYIT-UHFFFAOYSA-NDA-43903
Database identifiers
- PubChem CID
- 86715669
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
3 records
Compound notes
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