[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol

C13H21N3O2 — CID 117152147

IUPAC[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESOCC1CCCn2c(CC3CCOCC3)nnc21
InChIInChI=1S/C13H21N3O2/c17-9-11-2-1-5-16-12(14-15-13(11)16)8-10-3-6-18-7-4-10/h10-11,17H,1-9H2
InChIKeyFYSIKGJXUGJNTM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.12
Rot. Bonds3

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

[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (PubChem CID 117152147) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
PubChem CID117152147
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
SMILESOCC1CCCn2c(CC3CCOCC3)nnc21
InChIInChI=1S/C13H21N3O2/c17-9-11-2-1-5-16-12(14-15-13(11)16)8-10-3-6-18-7-4-10/h10-11,17H,1-9H2
InChIKeyFYSIKGJXUGJNTM-UHFFFAOYSA-N
XLogP1.12
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol with MolForge

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Related Compounds

3-(oxolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117152496
[3-(oxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152105
[3-[(1-ethylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152228
3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151991
3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148389
[3-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol
CID 117152265
[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]methanol
CID 117150853
2-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117152404
[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149507
8-methyl-3-(thian-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117152794
oxan-4-ylmethanol
CID 2773573
3-(2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117153207

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The IUPAC name of [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol (CID 117152147) is [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol.
What is the SMILES notation for [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The canonical SMILES for [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is OCC1CCCn2c(CC3CCOCC3)nnc21.
What is the InChIKey of [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
The InChIKey is FYSIKGJXUGJNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-9-11-2-1-5-16-12(14-15-13(11)16)8-10-3-6-18-7-4-10/h10-11,17H,1-9H2.
What are the key properties of [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol?
[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol is sourced from PubChem (CID 117152147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).