6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide

C14H7F6N5O2 — CID 134555509

IUPAC6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12
InChIInChI=1S/C14H7F6N5O2/c15-13(16,17)12-23-22-11-8(10(21)26)5-9(24-25(11)12)6-1-3-7(4-2-6)27-14(18,19)20/h1-5H,(H2,21,26)
InChIKeyLSMGXWAMKLOWIR-UHFFFAOYSA-N
MW391.23 g/mol
LogP2.81
Rot. Bonds3

About 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide

6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide (PubChem CID 134555509) has the molecular formula C14H7F6N5O2 and a molecular weight of 391.23 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide
PubChem CID134555509
Molecular FormulaC14H7F6N5O2
Molecular Weight391.23 g/mol
Exact Mass391.05
IUPAC Name6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12
InChIInChI=1S/C14H7F6N5O2/c15-13(16,17)12-23-22-11-8(10(21)26)5-9(24-25(11)12)6-1-3-7(4-2-6)27-14(18,19)20/h1-5H,(H2,21,26)
InChIKeyLSMGXWAMKLOWIR-UHFFFAOYSA-N
XLogP2.81
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide with MolForge

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Related Compounds

6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 134543895
8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555655
2-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]acetamide
CID 159160771
3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide
CID 142411072
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]acetic acid
CID 166086691
5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
CID 170265880
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 170794904
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]methanol;[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]methanol
CID 159392226
6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157123963
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-[4-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 71375758

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide (CID 134555509) is 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide is NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide?
The InChIKey is LSMGXWAMKLOWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N5O2/c15-13(16,17)12-23-22-11-8(10(21)26)5-9(24-25(11)12)6-1-3-7(4-2-6)27-14(18,19)20/h1-5H,(H2,21,26).
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide?
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide is sourced from PubChem (CID 134555509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).