3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C11H15N3O3 — CID 117151935

IUPAC3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(C3CCCO3)nnc21
InChIInChI=1S/C11H15N3O3/c15-11(16)7-3-1-5-14-9(7)12-13-10(14)8-4-2-6-17-8/h7-8H,1-6H2,(H,15,16)
InChIKeyGMIFLPPPMBNKET-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.09
Rot. Bonds2

About 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 117151935) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID117151935
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)C1CCCn2c(C3CCCO3)nnc21
InChIInChI=1S/C11H15N3O3/c15-11(16)7-3-1-5-14-9(7)12-13-10(14)8-4-2-6-17-8/h7-8H,1-6H2,(H,15,16)
InChIKeyGMIFLPPPMBNKET-UHFFFAOYSA-N
XLogP1.09
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151991
3-(1-ethylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151946
3-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82391986
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145049
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142582
3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152080
3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152061
3-[(2S)-oxolan-2-yl]-7-[(E)-3-phenylprop-2-enyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 26321948
3-(oxan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117151920
2-(oxan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117157219
4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115021656
3-(2-methoxyphenyl)-1-[3-(oxolan-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 56718427

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 117151935) is 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is O=C(O)C1CCCn2c(C3CCCO3)nnc21.
What is the InChIKey of 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is GMIFLPPPMBNKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)7-3-1-5-14-9(7)12-13-10(14)8-4-2-6-17-8/h7-8H,1-6H2,(H,15,16).
What are the key properties of 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117151935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).