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

C14H9F5N4O — CID 134555623

IUPAC3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C14H9F5N4O/c1-7-6-8(24-14(17,18)19)2-3-9(7)10-4-5-11-20-21-13(12(15)16)23(11)22-10/h2-6,12H,1H3
InChIKeyUUMMXWOYWPISRH-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.94
Rot. Bonds3

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

3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555623) has the molecular formula C14H9F5N4O and a molecular weight of 344.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555623
Molecular FormulaC14H9F5N4O
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C14H9F5N4O/c1-7-6-8(24-14(17,18)19)2-3-9(7)10-4-5-11-20-21-13(12(15)16)23(11)22-10/h2-6,12H,1H3
InChIKeyUUMMXWOYWPISRH-UHFFFAOYSA-N
XLogP3.94
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555623) is 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1.
What is the InChIKey of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UUMMXWOYWPISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5N4O/c1-7-6-8(24-14(17,18)19)2-3-9(7)10-4-5-11-20-21-13(12(15)16)23(11)22-10/h2-6,12H,1H3.
What are the key properties of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 344.24 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).