Basic information
- CAS
318959-14-7- Standard SMILES
Cc1nnc(-n2nccc2-c2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)n1N- InChIKey
GXZFXZIZZRBMEK-UHFFFAOYSA-N- Molecular formula
- C18H13ClF3N7O
- Average molar mass
- 435.8 g/mol
Names & identifiers
- Preferred name
- 3-[5-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-1H-pyrazol-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine
- IUPAC
- 3-[5-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazol-1-yl]-5-methyl-1,2,4-triazol-4-amine
- English name
- 3-[5-(3-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)phenyl)-1H-pyrazol-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine
- Molecular formula
- C18H13ClF3N7O
- Molecular weight
- 435.79
Names & synonyms
318959-14-73-[5-(3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-1H-pyrazol-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine3-[5-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-1H-pyrazol-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine3-[5-[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]pyrazol-1-yl]-5-methyl-1,2,4-triazol-4-amine3-(5-(3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amineAKOS0050957526K-0563-[5-(3-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)phenyl)-1H-pyrazol-1-yl]-5-methyl-4H-1,2,4-triazol-4-amine4H-1,2,4-Triazol-4-amine, 3-[5-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-pyrazol-1-yl]-5-methyl-3-[5-(3-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]OXY)PHENYL)-1H-PYRAZOL-1-YL]-5-METHYL-4H-1,2,4-TRIAZOL-4-YLAMINE
Database identifiers
- CAS
318959-14-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Chemistry & industry
Suppliers2 total
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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