3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol

C14H14F3N3O — CID 117150294

IUPAC3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
SMILESOC1CCCc2nnc(Cc3ccccc3C(F)(F)F)n21
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-5-2-1-4-9(10)8-12-19-18-11-6-3-7-13(21)20(11)12/h1-2,4-5,13,21H,3,6-8H2
InChIKeyCKOXROZYTFJSOD-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.71
Rot. Bonds2

About 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol

3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol (PubChem CID 117150294) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
PubChem CID117150294
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol
SMILESOC1CCCc2nnc(Cc3ccccc3C(F)(F)F)n21
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)10-5-2-1-4-9(10)8-12-19-18-11-6-3-7-13(21)20(11)12/h1-2,4-5,13,21H,3,6-8H2
InChIKeyCKOXROZYTFJSOD-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol with MolForge

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151601
2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155697
[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol
CID 117155042
[2-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153612
4-(cycloheptylmethyl)-2-methyl-5-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-one
CID 167496193
N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
CID 63173633
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 75403227
5-methoxy-3-[[2-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117140566
1-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 63091103
2-[[2-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066917
1-cyclopentyl-3-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 116508388
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 51307429

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The IUPAC name of 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol (CID 117150294) is 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol.
What is the SMILES notation for 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The canonical SMILES for 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol is OC1CCCc2nnc(Cc3ccccc3C(F)(F)F)n21.
What is the InChIKey of 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
The InChIKey is CKOXROZYTFJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)10-5-2-1-4-9(10)8-12-19-18-11-6-3-7-13(21)20(11)12/h1-2,4-5,13,21H,3,6-8H2.
What are the key properties of 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol?
3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol has a molecular weight of 297.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-ol is sourced from PubChem (CID 117150294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).