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

C12H7F3N4 — CID 12726832

IUPAC6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-8(2-4-9)10-5-6-11-17-16-7-19(11)18-10/h1-7H
InChIKeyNCMZVQSFCNNJOE-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.81
Rot. Bonds1

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

6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726832) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726832
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(-c2ccc3nncn3n2)cc1
InChIInChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-8(2-4-9)10-5-6-11-17-16-7-19(11)18-10/h1-7H
InChIKeyNCMZVQSFCNNJOE-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726832) is 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1ccc(-c2ccc3nncn3n2)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NCMZVQSFCNNJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-12(14,15)9-3-1-8(2-4-9)10-5-6-11-17-16-7-19(11)18-10/h1-7H.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(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-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).