1,2,4-Benzotriazine-3-acetamide, N-propyl-
Basic information
- CAS
80722-72-1- Standard SMILES
CCCNC(=O)Cc1nnc2ccccc2n1- InChIKey
WBVJMTOKNDAGCR-UHFFFAOYSA-N- Molecular formula
- C12H14N4O
- Average molar mass
- 230.27 g/mol
- Monoisotopic mass
- 230.11676108
Names & identifiers
- Preferred name
- 1,2,4-Benzotriazine-3-acetamide, N-propyl-
- IUPAC
- 2-(1,2,4-benzotriazin-3-yl)-N-propylacetamide
Names & synonyms
N-Propyl-1,2,4-benzotriazine-3-acetamideBRN 574643580722-72-11,2,4-BENZOTRIAZINE-3-ACETAMIDE, N-PROPYL-DTXSID10230573RefChem:214901DTXCID401530642-(1,2,4-benzotriazin-3-yl)-N-propylacetamide
Database identifiers
- CAS
80722-72-1- PubChem CID
- 54609
- DTXSID
DTXSID10230573- Nikkaji
- J67.817A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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