2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole

C9H5F2N5S — CID 167962479

IUPAC2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
SMILESFC(F)c1nc(-c2nnc3cccnn23)cs1
InChIInChI=1S/C9H5F2N5S/c10-7(11)9-13-5(4-17-9)8-15-14-6-2-1-3-12-16(6)8/h1-4,7H
InChIKeyIMXJQGSTDOSPMS-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.19
Rot. Bonds2

About 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole

2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole (PubChem CID 167962479) has the molecular formula C9H5F2N5S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
PubChem CID167962479
Molecular FormulaC9H5F2N5S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC Name2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole
SMILESFC(F)c1nc(-c2nnc3cccnn23)cs1
InChIInChI=1S/C9H5F2N5S/c10-7(11)9-13-5(4-17-9)8-15-14-6-2-1-3-12-16(6)8/h1-4,7H
InChIKeyIMXJQGSTDOSPMS-UHFFFAOYSA-N
XLogP2.19
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The IUPAC name of 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole (CID 167962479) is 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole is FC(F)c1nc(-c2nnc3cccnn23)cs1.
What is the InChIKey of 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
The InChIKey is IMXJQGSTDOSPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N5S/c10-7(11)9-13-5(4-17-9)8-15-14-6-2-1-3-12-16(6)8/h1-4,7H.
What are the key properties of 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole?
2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole has a molecular weight of 253.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 167962479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).