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

C13H12F3N3O — CID 117151742

IUPAC3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESOC1CCn2c(nnc2-c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-18-17-11-7-8(20)5-6-19(11)12/h1-4,8,20H,5-7H2
InChIKeyDNZNHLKHCKXAJX-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.27
Rot. Bonds1

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

3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (PubChem CID 117151742) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
PubChem CID117151742
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
SMILESOC1CCn2c(nnc2-c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-18-17-11-7-8(20)5-6-19(11)12/h1-4,8,20H,5-7H2
InChIKeyDNZNHLKHCKXAJX-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392017
3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151561
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151697
7-methyl-3-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151745
4-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
CID 115047503
3-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117151601
1-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74234331
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117128524
4,5-bis(hydroxymethyl)-2-methyl-1-[3-[2-(trifluoromethyl)phenyl]-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2H-pyridin-3-ol
CID 175761050
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ol
CID 105429753
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-methylaniline
CID 43142774

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol (CID 117151742) is 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is OC1CCn2c(nnc2-c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
The InChIKey is DNZNHLKHCKXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-18-17-11-7-8(20)5-6-19(11)12/h1-4,8,20H,5-7H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol?
3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol has a molecular weight of 283.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol is sourced from PubChem (CID 117151742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).