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

C14H16FN3O — CID 117153617

IUPAC[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nc(Cc3ccccc3F)nn2C1
InChIInChI=1S/C14H16FN3O/c15-12-4-2-1-3-11(12)7-13-16-14-6-5-10(9-19)8-18(14)17-13/h1-4,10,19H,5-9H2
InChIKeyONNJPXQQEBEBTN-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.56
Rot. Bonds3

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

[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol (PubChem CID 117153617) 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-6-yl]methanol.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
PubChem CID117153617
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-6-yl]methanol
SMILESOCC1CCc2nc(Cc3ccccc3F)nn2C1
InChIInChI=1S/C14H16FN3O/c15-12-4-2-1-3-11(12)7-13-16-14-6-5-10(9-19)8-18(14)17-13/h1-4,10,19H,5-9H2
InChIKeyONNJPXQQEBEBTN-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-6-yl]methanol?
The IUPAC name of [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol (CID 117153617) is [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-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-6-yl]methanol?
The canonical SMILES for [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol is OCC1CCc2nc(Cc3ccccc3F)nn2C1.
What is the InChIKey of [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol?
The InChIKey is ONNJPXQQEBEBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-4-2-1-3-11(12)7-13-16-14-6-5-10(9-19)8-18(14)17-13/h1-4,10,19H,5-9H2.
What are the key properties of [2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol?
[2-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol has a molecular weight of 261.30 g/mol, XLogP of 1.56, 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-6-yl]methanol is sourced from PubChem (CID 117153617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).