Basic information
- CAS
22201-98-5- Standard SMILES
c1ccc(CCC2=NCCNN2)cc1- InChIKey
INIBGFCGSJWQJE-UHFFFAOYSA-N- Molecular formula
- C11H15N3
- Average molar mass
- 189.26 g/mol
- Monoisotopic mass
- 189.12659749
Names & identifiers
- Preferred name
- as-Triazine, 1,4,5,6-tetrahydro-3-phenethyl-
- IUPAC
- 3-(2-phenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine
- English name
- 1,4,5,6-Tetrahydro-3-phenethyl-1,2,4-triazine
- Molecular weight
- 0
Names & synonyms
as-Triazine, 1,4,5,6-tetrahydro-3-phenethyl-BRN 051471422201-98-53-Phenethyl-1,4,5,6-tetrahydro-as-triazine1,4,5,6-Tetrahydro-3-phenethyl-as-triazineas-Triazine, 3-phenethyl-1,4,5,6-tetrahydro-DTXSID50176749RefChem:320103DTXCID90992403-(2-phenylethyl)-1,2,5,6-tetrahydro-1,2,4-triazine1,4,5,6-Tetrahydro-3-phenethyl-1,2,4-triazine
Database identifiers
- CAS
22201-98-5- PubChem CID
- 89628
- DTXSID
DTXSID50176749- Nikkaji
- J49.146B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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