3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

C13H9F3N4 — CID 6603922

IUPAC3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C13H9F3N4/c1-8-18-19-12-6-10(7-17-20(8)12)9-2-4-11(5-3-9)13(14,15)16/h2-7H,1H3
InChIKeyRIRWYIGLVMPJBZ-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.12
Rot. Bonds1

About 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 6603922) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID6603922
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C13H9F3N4/c1-8-18-19-12-6-10(7-17-20(8)12)9-2-4-11(5-3-9)13(14,15)16/h2-7H,1H3
InChIKeyRIRWYIGLVMPJBZ-UHFFFAOYSA-N
XLogP3.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 6603922) is 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12.
What is the InChIKey of 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RIRWYIGLVMPJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-8-18-19-12-6-10(7-17-20(8)12)9-2-4-11(5-3-9)13(14,15)16/h2-7H,1H3.
What are the key properties of 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 278.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 6603922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).