Basic information
- CAS
68767-66-8- Standard SMILES
O=c1[nH]ncn2nc3ccccc3c12- InChIKey
SNQBYLSIZSLTGG-UHFFFAOYSA-N- Molecular formula
- C9H6N4O
- Average molar mass
- 186.17 g/mol
- Monoisotopic mass
- 186.05416083
Names & identifiers
- Preferred name
- 2H-[1,2,4]triazino[4,5-b]indazol-1-one
- IUPAC
- 2H-[1,2,4]triazino[4,5-b]indazol-1-one
Names & synonyms
NSC34055268767-66-8DTXSID90319158NSC-340552[1,2,4]Triazino[4,5-b]indazol-1(2H)-one
Database identifiers
- CAS
68767-66-8- PubChem CID
- 334684
- DTXSID
DTXSID90319158
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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