2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole

C14H14F3N7S — CID 67341534

IUPAC2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4nccs4)CC3)nn12
InChIInChI=1S/C14H14F3N7S/c15-14(16,17)13-20-19-10-1-2-11(21-24(10)13)23-6-4-22(5-7-23)9-12-18-3-8-25-12/h1-3,8H,4-7,9H2
InChIKeyDHDGKFYVHOGKIJ-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.92
Rot. Bonds3

About 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole

2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 67341534) has the molecular formula C14H14F3N7S and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID67341534
Molecular FormulaC14H14F3N7S
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4nccs4)CC3)nn12
InChIInChI=1S/C14H14F3N7S/c15-14(16,17)13-20-19-10-1-2-11(21-24(10)13)23-6-4-22(5-7-23)9-12-18-3-8-25-12/h1-3,8H,4-7,9H2
InChIKeyDHDGKFYVHOGKIJ-UHFFFAOYSA-N
XLogP1.92
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 67341534) is 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1nnc2ccc(N3CCN(Cc4nccs4)CC3)nn12.
What is the InChIKey of 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is DHDGKFYVHOGKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7S/c15-14(16,17)13-20-19-10-1-2-11(21-24(10)13)23-6-4-22(5-7-23)9-12-18-3-8-25-12/h1-3,8H,4-7,9H2.
What are the key properties of 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole?
2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 369.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 67341534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).