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

C12H19N3O2 — CID 117155553

IUPAC2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2nc(CC3CCCOC3)nn21
InChIInChI=1S/C12H19N3O2/c16-12-5-1-4-11-13-10(14-15(11)12)7-9-3-2-6-17-8-9/h9,12,16H,1-8H2
InChIKeyHMCBCWCQGSMXDC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds2

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

2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (PubChem CID 117155553) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
PubChem CID117155553
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2nc(CC3CCCOC3)nn21
InChIInChI=1S/C12H19N3O2/c16-12-5-1-4-11-13-10(14-15(11)12)7-9-3-2-6-17-8-9/h9,12,16H,1-8H2
InChIKeyHMCBCWCQGSMXDC-UHFFFAOYSA-N
XLogP1.07
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The IUPAC name of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (CID 117155553) is 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The canonical SMILES for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is OC1CCCc2nc(CC3CCCOC3)nn21.
What is the InChIKey of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The InChIKey is HMCBCWCQGSMXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12-5-1-4-11-13-10(14-15(11)12)7-9-3-2-6-17-8-9/h9,12,16H,1-8H2.
What are the key properties of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol has a molecular weight of 237.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117155553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).