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

C12H7F3N4 — CID 12726830

IUPAC6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-2-8(6-9)10-4-5-11-17-16-7-19(11)18-10/h1-7H
InChIKeyLUNGXSAUXKXSSP-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.81
Rot. Bonds1

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

6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726830) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726830
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-2-8(6-9)10-4-5-11-17-16-7-19(11)18-10/h1-7H
InChIKeyLUNGXSAUXKXSSP-UHFFFAOYSA-N
XLogP2.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
3MB-PP1
CID 24865390
Dsm-74
CID 25263414
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263434

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726830) is 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LUNGXSAUXKXSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-2-8(6-9)10-4-5-11-17-16-7-19(11)18-10/h1-7H.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 264.21 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).