[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol

C14H16FN3O — CID 117155048

IUPAC[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2nc(Cc3ccccc3F)nn21
InChIInChI=1S/C14H16FN3O/c15-12-6-2-1-4-10(12)8-13-16-14-7-3-5-11(9-19)18(14)17-13/h1-2,4,6,11,19H,3,5,7-9H2
InChIKeyLKEWLLFSFPXFIK-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.88
Rot. Bonds3

About [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol

[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol (PubChem CID 117155048) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
PubChem CID117155048
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
SMILESOCC1CCCc2nc(Cc3ccccc3F)nn21
InChIInChI=1S/C14H16FN3O/c15-12-6-2-1-4-10(12)8-13-16-14-7-3-5-11(9-19)18(14)17-13/h1-2,4,6,11,19H,3,5,7-9H2
InChIKeyLKEWLLFSFPXFIK-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol with MolForge

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Related Compounds

[2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol
CID 117155065
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153617
(2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanol
CID 117155027
5-methyl-2-[(2-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567632
2-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117155703
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-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
CID 117128553
6-chloro-2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130502
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol (CID 117155048) is [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol is OCC1CCCc2nc(Cc3ccccc3F)nn21.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is LKEWLLFSFPXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-6-2-1-4-10(12)8-13-16-14-7-3-5-11(9-19)18(14)17-13/h1-2,4,6,11,19H,3,5,7-9H2.
What are the key properties of [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol?
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 261.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117155048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).