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

C11H15N3O3 — CID 117154731

IUPAC2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CCCO3)nn21
InChIInChI=1S/C11H15N3O3/c15-11(16)7-3-1-5-9-12-10(13-14(7)9)8-4-2-6-17-8/h7-8H,1-6H2,(H,15,16)
InChIKeyJXZRDWOGPTZVQI-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.09
Rot. Bonds2

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

2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117154731) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117154731
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CCCO3)nn21
InChIInChI=1S/C11H15N3O3/c15-11(16)7-3-1-5-9-12-10(13-14(7)9)8-4-2-6-17-8/h7-8H,1-6H2,(H,15,16)
InChIKeyJXZRDWOGPTZVQI-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

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Related Compounds

2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 83867314
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154856
2-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154766
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154693
2-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154834
3-(oxan-2-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021305
2-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82567904
7-methyl-2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156612
2-[[2-methyl-5-(oxan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 104602393
2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117154818
6-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 65330890
methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568091

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 117154731) is 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2nc(C3CCCO3)nn21.
What is the InChIKey of 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is JXZRDWOGPTZVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-11(16)7-3-1-5-9-12-10(13-14(7)9)8-4-2-6-17-8/h7-8H,1-6H2,(H,15,16).
What are the key properties of 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-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 2-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117154731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).