2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole

C11H8F2N6S2 — CID 133428472

IUPAC2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole
SMILESFC(F)c1nnc2ccc(Sc3nnc(C4CC4)s3)nn12
InChIInChI=1S/C11H8F2N6S2/c12-8(13)9-15-14-6-3-4-7(18-19(6)9)20-11-17-16-10(21-11)5-1-2-5/h3-5,8H,1-2H2
InChIKeyFEDCKWDWEWYBDR-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.94
Rot. Bonds4

About 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole

2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole (PubChem CID 133428472) has the molecular formula C11H8F2N6S2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole
PubChem CID133428472
Molecular FormulaC11H8F2N6S2
Molecular Weight326.36 g/mol
Exact Mass326.02
IUPAC Name2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole
SMILESFC(F)c1nnc2ccc(Sc3nnc(C4CC4)s3)nn12
InChIInChI=1S/C11H8F2N6S2/c12-8(13)9-15-14-6-3-4-7(18-19(6)9)20-11-17-16-10(21-11)5-1-2-5/h3-5,8H,1-2H2
InChIKeyFEDCKWDWEWYBDR-UHFFFAOYSA-N
XLogP2.94
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(difluoromethyl)-6-(oxan-4-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 84593763
6-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426790
6-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426815
3-(difluoromethyl)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133425217
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
CID 133425470
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propan-1-ol
CID 133428218
N-cyclohexyl-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 17466846
6-[(4-chlorophenyl)-phenylmethyl]sulfanyl-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133425066
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
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 133425563
3-(difluoromethyl)-6-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426097
3-(difluoromethyl)-6-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133365897

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole (CID 133428472) is 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole is FC(F)c1nnc2ccc(Sc3nnc(C4CC4)s3)nn12.
What is the InChIKey of 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole?
The InChIKey is FEDCKWDWEWYBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N6S2/c12-8(13)9-15-14-6-3-4-7(18-19(6)9)20-11-17-16-10(21-11)5-1-2-5/h3-5,8H,1-2H2.
What are the key properties of 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole?
2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole has a molecular weight of 326.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 133428472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).