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

C10H7F3N6S — CID 35871272

IUPAC6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ccnc1Sc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H7F3N6S/c1-18-5-4-14-9(18)20-7-3-2-6-15-16-8(10(11,12)13)19(6)17-7/h2-5H,1H3
InChIKeyPWPYAXZLGOFSQU-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.03
Rot. Bonds2

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

6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 35871272) has the molecular formula C10H7F3N6S and a molecular weight of 300.27 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID35871272
Molecular FormulaC10H7F3N6S
Molecular Weight300.27 g/mol
Exact Mass300.04
IUPAC Name6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ccnc1Sc1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C10H7F3N6S/c1-18-5-4-14-9(18)20-7-3-2-6-15-16-8(10(11,12)13)19(6)17-7/h2-5H,1H3
InChIKeyPWPYAXZLGOFSQU-UHFFFAOYSA-N
XLogP2.03
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-(1H-imidazol-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1521583
6-(1H-imidazol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 713378
6-(1-Propan-2-yltetrazol-5-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 17409069
6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 86774425
6-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67341534
6-Imidazol-1-yl-3-(1,2,2-trifluoro-1,2-diiodoethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 89953291
6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 141383522
3-Ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 142739635
2-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 168861822
2-Methyl-7-(trifluoromethylsulfanyl)imidazo[1,2-b]pyridazine
CID 169839568
6-(1H-pyrrol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1480853
6-Pyrimidin-2-ylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7354172

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 35871272) is 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ccnc1Sc1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PWPYAXZLGOFSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6S/c1-18-5-4-14-9(18)20-7-3-2-6-15-16-8(10(11,12)13)19(6)17-7/h2-5H,1H3.
What are the key properties of 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 300.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)sulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 35871272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).