3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol

C14H17N3O2 — CID 105391998

IUPAC3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1nnc2n1CC(CO)CC2
InChIInChI=1S/C14H17N3O2/c1-9-11(3-2-4-12(9)19)14-16-15-13-6-5-10(8-18)7-17(13)14/h2-4,10,18-19H,5-8H2,1H3
InChIKeyMYBZQURWUOECHS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds2

About 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol

3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol (PubChem CID 105391998) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol
PubChem CID105391998
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol
SMILESCc1c(O)cccc1-c1nnc2n1CC(CO)CC2
InChIInChI=1S/C14H17N3O2/c1-9-11(3-2-4-12(9)19)14-16-15-13-6-5-10(8-18)7-17(13)14/h2-4,10,18-19H,5-8H2,1H3
InChIKeyMYBZQURWUOECHS-UHFFFAOYSA-N
XLogP1.51
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol 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-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 105392004
(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 71755954
[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 95970239
[3-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392032
[3-(1-methylimidazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 107979566
[3-[3-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391919
[3-(1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 136702650
3-[[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 105392056
[3-[4-(difluoromethoxy)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105392053
[3-(1-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391879
2-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol
CID 117153676

Frequently Asked Questions

What is the IUPAC name of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol?
The IUPAC name of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol (CID 105391998) is 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol.
What is the SMILES notation for 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol?
The canonical SMILES for 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol is Cc1c(O)cccc1-c1nnc2n1CC(CO)CC2.
What is the InChIKey of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol?
The InChIKey is MYBZQURWUOECHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-11(3-2-4-12(9)19)14-16-15-13-6-5-10(8-18)7-17(13)14/h2-4,10,18-19H,5-8H2,1H3.
What are the key properties of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol?
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol has a molecular weight of 259.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methylphenol is sourced from PubChem (CID 105391998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).