6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H9F3N8S — CID 26019641

IUPAC6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnnn3Cc3ccccc3)nn12
InChIInChI=1S/C14H9F3N8S/c15-14(16,17)12-19-18-10-6-7-11(21-25(10)12)26-13-20-22-23-24(13)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVTDSQSBRPZEVPF-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.33
Rot. Bonds4

About 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 26019641) has the molecular formula C14H9F3N8S and a molecular weight of 378.34 g/mol. Its IUPAC name is 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID26019641
Molecular FormulaC14H9F3N8S
Molecular Weight378.34 g/mol
Exact Mass378.06
IUPAC Name6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Sc3nnnn3Cc3ccccc3)nn12
InChIInChI=1S/C14H9F3N8S/c15-14(16,17)12-19-18-10-6-7-11(21-25(10)12)26-13-20-22-23-24(13)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyVTDSQSBRPZEVPF-UHFFFAOYSA-N
XLogP2.33
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[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
6-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 51300691
6-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17418450
6-(4-methylphenyl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 51289423
1-benzyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 52529564
3-thiophen-3-yl-6-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488799
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17417962
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
6-[(4-methoxyphenyl)methylsulfanyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 168898979
2-(1-benzyltetrazol-5-yl)sulfanyl-5-chloro-1,3-thiazole
CID 18707764
2-(1-benzyltetrazol-5-yl)sulfanyl-4-phenyl-1,3-thiazole
CID 18708946
1-benzyl-5-(trichloromethyl)tetrazole
CID 69032127

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 26019641) is 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Sc3nnnn3Cc3ccccc3)nn12.
What is the InChIKey of 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VTDSQSBRPZEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N8S/c15-14(16,17)12-19-18-10-6-7-11(21-25(10)12)26-13-20-22-23-24(13)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 378.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzyltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 26019641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).