3-Propyl-pyrido(3,4-e)(1,2,4)triazine
Basic information
- CAS
121845-45-2- Standard SMILES
CCCc1nnc2ccncc2n1- InChIKey
KZSXWJWFVZWSGY-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 3-Propyl-pyrido(3,4-e)(1,2,4)triazine
- IUPAC
- 3-propylpyrido[3,4-e][1,2,4]triazine
Names & synonyms
121845-45-23-propylpyrido[3,4-e][1,2,4]triazine3-Propyl-pyrido(3,4-e)(1,2,4)triazine3-Propyl-pyrido[3,4-e][1,2,4]triazineCHEMBL83854DTXSID40153382
Database identifiers
- CAS
121845-45-2- PubChem CID
- 516592
- DTXSID
DTXSID40153382- ChEMBL
CHEMBL83854- Nikkaji
- J239.901F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
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Compound notes
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