6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H8F6N4O — CID 50905540

IUPAC6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H8F6N4O/c1-7-6-8(25-14(18,19)20)2-3-9(7)10-4-5-11-21-22-12(13(15,16)17)24(11)23-10/h2-6H,1H3
InChIKeyJYLMBHNGTOZDKW-UHFFFAOYSA-N
MW362.23 g/mol
LogP4.02
Rot. Bonds2

About 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 50905540) has the molecular formula C14H8F6N4O and a molecular weight of 362.23 g/mol. Its IUPAC name is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID50905540
Molecular FormulaC14H8F6N4O
Molecular Weight362.23 g/mol
Exact Mass362.06
IUPAC Name6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C14H8F6N4O/c1-7-6-8(25-14(18,19)20)2-3-9(7)10-4-5-11-21-22-12(13(15,16)17)24(11)23-10/h2-6H,1H3
InChIKeyJYLMBHNGTOZDKW-UHFFFAOYSA-N
XLogP4.02
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

Bms-561388
CID 9908904
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
GS-458967
CID 58118983
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
Pyrazolo[1,5-a]-1,3,5-triazine, 12-4
CID 42618167
Pyrazolo[1,5-a]-1,3,5-triazine, 12-5
CID 42618168
Pyrazolo[1,5-a]-1,3,5-triazine, 12-6
CID 42618169
Pyrazolo[1,5-a]-1,3,5-triazine, 12-7
CID 42618170
Pyrazolo[1,5-a]-1,3,5-triazine, 12-8
CID 42618171
Pyrazolo[1,5-a]-1,3,5-triazine, 12-9
CID 42618172
Pyrazolo[1,5-a]-1,3,5-triazine, 12-10
CID 42618173

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 50905540) is 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JYLMBHNGTOZDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O/c1-7-6-8(25-14(18,19)20)2-3-9(7)10-4-5-11-21-22-12(13(15,16)17)24(11)23-10/h2-6H,1H3.
What are the key properties of 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 362.23 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 50905540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).