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

C14H19F3N6O — CID 138019135

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

4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (PubChem CID 138019135) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
• PubChem CID: 138019135
• Molecular Formula: C14H19F3N6O
• Molecular Weight: 344.34 g/mol
• Exact Mass: 344.16
• IUPAC Name: 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
• SMILES: CN(C)CC1(O)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
• InChI: InChI=1S/C14H19F3N6O/c1-21(2)9-13(24)5-7-22(8-6-13)11-4-3-10-18-19-12(14(15,16)17)23(10)20-11/h3-4,24H,5-9H2,1-2H3
• InChIKey: ZYJGPYXTDPWMIQ-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 69.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.34
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?

The IUPAC name of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (CID 138019135) is 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol.

What is the SMILES notation for 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?

The canonical SMILES for 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol is CN(C)CC1(O)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.

What is the InChIKey of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?

The InChIKey is ZYJGPYXTDPWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-21(2)9-13(24)5-7-22(8-6-13)11-4-3-10-18-19-12(14(15,16)17)23(10)20-11/h3-4,24H,5-9H2,1-2H3.

What are the key properties of 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?

4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol has a molecular weight of 344.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(dimethylamino)methyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol is sourced from PubChem (CID 138019135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).