3,6-Diphenyl-1,2,4-triazin-5-ol
Basic information
- CAS
36214-25-2- Standard SMILES
O=c1[nH]c(-c2ccccc2)nnc1-c1ccccc1- InChIKey
OVBZXBMCQXEFGU-UHFFFAOYSA-N- Molecular formula
- C15H11N3O
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.09021198
Names & identifiers
- Preferred name
- 3,6-Diphenyl-1,2,4-triazin-5-ol
- IUPAC
- 3,6-diphenyl-4H-1,2,4-triazin-5-one
- English name
- 3,6-Diphenyl-1,2,4-triazin-5-ol
- Molecular formula
- C15H11N3O
- Molecular weight
- 249.27
Names & synonyms
3,6-diphenyl-1,2,4-triazin-5-ol36214-25-23,6-diphenyl-1,2,4-triazin-5(2h)-one3,6-diphenyl-2H-1,2,4-triazin-5-one3,6-diphenyl-4H-1,2,4-triazin-5-oneMFCD07755895diphenyl-1,2,4-triazin-5-olAs-triazin-5-ol, 3,6-diphenyl-3,6-Diphenyl-1,2,4-triazin-5(4H)-one1,2,4-Triazin-5(4H)-one, 3,6-diphenyl-MLS000777499SCHEMBL7322860
Show more names
1,2,4-Triazin-5(2H)-one, 3,6-diphenyl-
SCHEMBL7322868CHEMBL1337868DTXSID70340985OVBZXBMCQXEFGU-UHFFFAOYSA-NHMS2756B12SBB100571AKOS005070996AKOS022138086
Database identifiers
- CAS
36214-25-2- PubChem CID
- 135413064
- DTXSID
DTXSID70340985- ChEMBL
CHEMBL1337868- Nikkaji
- J104.425G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 402
Experimental & physicochemical properties
Solubility13 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 264 · 264-266°
- Boiling point
- 391.1 · 391.1±25.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 7.69 · 7.69±0.70(Predicted)
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H319-H315-H335
- Precautionary statements
- 280 · P280-P261-P304-P340-P312-P301-P330-P305-P351-P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H319-H315-H335
- Precautionary statements
- P280-P261-P304-P340-P312-P301-P330-P305-P351-P338
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Related reactions
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Compound notes
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