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

C17H17F3N6O — CID 59149809

IUPAC4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
SMILESCc1ccnc(C2(O)CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1
InChIInChI=1S/C17H17F3N6O/c1-11-4-7-21-12(10-11)16(27)5-8-25(9-6-16)14-3-2-13-22-23-15(17(18,19)20)26(13)24-14/h2-4,7,10,27H,5-6,8-9H2,1H3
InChIKeyLHBNGJMOFXHJQA-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.33
Rot. Bonds2

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

4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (PubChem CID 59149809) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
PubChem CID59149809
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
SMILESCc1ccnc(C2(O)CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1
InChIInChI=1S/C17H17F3N6O/c1-11-4-7-21-12(10-11)16(27)5-8-25(9-6-16)14-3-2-13-22-23-15(17(18,19)20)26(13)24-14/h2-4,7,10,27H,5-6,8-9H2,1H3
InChIKeyLHBNGJMOFXHJQA-UHFFFAOYSA-N
XLogP2.33
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(7-(4-Fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10154823
2-(7-(4-Fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10154824
2-(7-(3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10271398
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
[5-[6-[4-(6-Fluoro-2,3-dihydroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]-2-pyridinyl]methanol
CID 76329166
5-[5-amino-2-[(R)-(3-fluoro-2-pyridinyl)-hydroxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821421
2-(7-(4-Fluoro-3-(5-fluoropyridin-2-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 9969198
2-(7-(4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10133554
4-(4-Fluorophenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
CID 44125832
3-(Cyclopropylmethyl)-7-[(4-methoxy-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 68108294
2-[5-[1-(Trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl]pyridin-3-yl]propan-2-ol
CID 89961765
5-[5-amino-7-(4-fluorophenyl)-2-[(R)-(3-fluoro-2-pyridinyl)-hydroxymethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821341

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The IUPAC name of 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol (CID 59149809) is 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol is Cc1ccnc(C2(O)CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1.
What is the InChIKey of 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
The InChIKey is LHBNGJMOFXHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-11-4-7-21-12(10-11)16(27)5-8-25(9-6-16)14-3-2-13-22-23-15(17(18,19)20)26(13)24-14/h2-4,7,10,27H,5-6,8-9H2,1H3.
What are the key properties of 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol?
4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol has a molecular weight of 378.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol is sourced from PubChem (CID 59149809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).