4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

C12H10F3N7OS — CID 177329271

IUPAC4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)c1csc(C2CN(c3ccc4nnnn4n3)CCO2)n1
InChIInChI=1S/C12H10F3N7OS/c13-12(14,15)8-6-24-11(16-8)7-5-21(3-4-23-7)10-2-1-9-17-19-20-22(9)18-10/h1-2,6-7H,3-5H2
InChIKeyUYJMDTYZHPZRDX-UHFFFAOYSA-N
MW357.32 g/mol
LogP1.57
Rot. Bonds2

About 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 177329271) has the molecular formula C12H10F3N7OS and a molecular weight of 357.32 g/mol. Its IUPAC name is 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
PubChem CID177329271
Molecular FormulaC12H10F3N7OS
Molecular Weight357.32 g/mol
Exact Mass357.06
IUPAC Name4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESFC(F)(F)c1csc(C2CN(c3ccc4nnnn4n3)CCO2)n1
InChIInChI=1S/C12H10F3N7OS/c13-12(14,15)8-6-24-11(16-8)7-5-21(3-4-23-7)10-2-1-9-17-19-20-22(9)18-10/h1-2,6-7H,3-5H2
InChIKeyUYJMDTYZHPZRDX-UHFFFAOYSA-N
XLogP1.57
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (CID 177329271) is 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is FC(F)(F)c1csc(C2CN(c3ccc4nnnn4n3)CCO2)n1.
What is the InChIKey of 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is UYJMDTYZHPZRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7OS/c13-12(14,15)8-6-24-11(16-8)7-5-21(3-4-23-7)10-2-1-9-17-19-20-22(9)18-10/h1-2,6-7H,3-5H2.
What are the key properties of 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 357.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazolo[1,5-b]pyridazin-6-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 177329271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).