3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

C14H7F5N8OS — CID 133426097

IUPAC3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1nnc2ccc(Sc3nnnn3-c3ccc(OC(F)(F)F)cc3)nn12
InChIInChI=1S/C14H7F5N8OS/c15-11(16)12-21-20-9-5-6-10(23-27(9)12)29-13-22-24-25-26(13)7-1-3-8(4-2-7)28-14(17,18)19/h1-6,11H
InChIKeyNUABKDJYJMDDCJ-UHFFFAOYSA-N
MW430.32 g/mol
LogP3.09
Rot. Bonds5

About 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133426097) has the molecular formula C14H7F5N8OS and a molecular weight of 430.32 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133426097
Molecular FormulaC14H7F5N8OS
Molecular Weight430.32 g/mol
Exact Mass430.04
IUPAC Name3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1nnc2ccc(Sc3nnnn3-c3ccc(OC(F)(F)F)cc3)nn12
InChIInChI=1S/C14H7F5N8OS/c15-11(16)12-21-20-9-5-6-10(23-27(9)12)29-13-22-24-25-26(13)7-1-3-8(4-2-7)28-14(17,18)19/h1-6,11H
InChIKeyNUABKDJYJMDDCJ-UHFFFAOYSA-N
XLogP3.09
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-phenyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 51300617
(2R)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 8971274
5-(4-fluoro-2-nitrophenyl)sulfanyl-1-[4-(trifluoromethoxy)phenyl]tetrazole
CID 30646760
6-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 51300691
N-(2-methylpropyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500527
1-phenyl-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]tetrazole
CID 52561620
1-[2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylethyl]piperidine
CID 8894975
4-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 133426359
(2S)-N-propyl-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 9382473
N-[4-(difluoromethoxy)phenyl]-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 46815744
1-(4-chlorophenyl)-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]tetrazole
CID 610229
N-(4-methoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500522

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 133426097) is 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)c1nnc2ccc(Sc3nnnn3-c3ccc(OC(F)(F)F)cc3)nn12.
What is the InChIKey of 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NUABKDJYJMDDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N8OS/c15-11(16)12-21-20-9-5-6-10(23-27(9)12)29-13-22-24-25-26(13)7-1-3-8(4-2-7)28-14(17,18)19/h1-6,11H.
What are the key properties of 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 430.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133426097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).