Basic information
- CAS
98555-24-9- Standard SMILES
NNC(=O)c1nnc2ccccc2n1- InChIKey
MBVVFKFDUCBPQV-UHFFFAOYSA-N- Molecular formula
- C8H7N5O
- Average molar mass
- 189.17 g/mol
- Monoisotopic mass
- 189.06505986
Names & identifiers
- Preferred name
- 1,2,4-Benzotriazine-3-carboxylic acid, hydrazide
- IUPAC
- 1,2,4-benzotriazine-3-carbohydrazide
Names & synonyms
BRN 01709811,2,4-BENZOTRIAZINE-3-CARBOXYLIC ACID, HYDRAZIDE98555-24-9DTXSID402437124-26-00-00949 (Beilstein Handbook Reference)RefChem:214906DTXCID701662031,2,4-benzotriazine-3-carbohydrazide
Database identifiers
- CAS
98555-24-9- PubChem CID
- 57418
- DTXSID
DTXSID40243712- Nikkaji
- J67.818J
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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