4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

C14H13F3N6OS — CID 59149813

IUPAC4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
SMILESOC1(c2nccs2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H13F3N6OS/c15-14(16,17)11-20-19-9-1-2-10(21-23(9)11)22-6-3-13(24,4-7-22)12-18-5-8-25-12/h1-2,5,8,24H,3-4,6-7H2
InChIKeyPNVROANFRJXCBK-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.09
Rot. Bonds2

About 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (PubChem CID 59149813) has the molecular formula C14H13F3N6OS and a molecular weight of 370.36 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
PubChem CID59149813
Molecular FormulaC14H13F3N6OS
Molecular Weight370.36 g/mol
Exact Mass370.08
IUPAC Name4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
SMILESOC1(c2nccs2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C14H13F3N6OS/c15-14(16,17)11-20-19-9-1-2-10(21-23(9)11)22-6-3-13(24,4-7-22)12-18-5-8-25-12/h1-2,5,8,24H,3-4,6-7H2
InChIKeyPNVROANFRJXCBK-UHFFFAOYSA-N
XLogP2.09
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The IUPAC name of 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (CID 59149813) is 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol is OC1(c2nccs2)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The InChIKey is PNVROANFRJXCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6OS/c15-14(16,17)11-20-19-9-1-2-10(21-23(9)11)22-6-3-13(24,4-7-22)12-18-5-8-25-12/h1-2,5,8,24H,3-4,6-7H2.
What are the key properties of 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol has a molecular weight of 370.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol is sourced from PubChem (CID 59149813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).