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

C13H21N3O2 — CID 117150924

IUPAC[3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESOCC1CCn2c(nnc2CC2CCCCO2)C1
InChIInChI=1S/C13H21N3O2/c17-9-10-4-5-16-12(7-10)14-15-13(16)8-11-3-1-2-6-18-11/h10-11,17H,1-9H2
InChIKeyGRVVAPOXSCRRIY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.94
Rot. Bonds3

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

[3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (PubChem CID 117150924) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
PubChem CID117150924
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESOCC1CCn2c(nnc2CC2CCCCO2)C1
InChIInChI=1S/C13H21N3O2/c17-9-10-4-5-16-12(7-10)14-15-13(16)8-11-3-1-2-6-18-11/h10-11,17H,1-9H2
InChIKeyGRVVAPOXSCRRIY-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150932
[3-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150946
[3-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150844
[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150842
[5-(oxan-2-ylmethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396838
[3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150834
[(2S)-oxan-2-yl]methanol
CID 6950811
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117150062
4-tert-butyl-3-(chloromethyl)-5-(oxan-2-ylmethyl)-1,2,4-triazole
CID 115397943
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117156740
3-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151266

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The IUPAC name of [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (CID 117150924) is [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is OCC1CCn2c(nnc2CC2CCCCO2)C1.
What is the InChIKey of [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The InChIKey is GRVVAPOXSCRRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-9-10-4-5-16-12(7-10)14-15-13(16)8-11-3-1-2-6-18-11/h10-11,17H,1-9H2.
What are the key properties of [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
[3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol has a molecular weight of 251.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is sourced from PubChem (CID 117150924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).