2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C11H15N3O2 — CID 83866082

IUPAC2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CCC3)nn21
InChIInChI=1S/C11H15N3O2/c15-11(16)8-5-2-6-9-12-10(13-14(8)9)7-3-1-4-7/h7-8H,1-6H2,(H,15,16)
InChIKeyQROSJZNUCBELHS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.51
Rot. Bonds2

About 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 83866082) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID83866082
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(C3CCC3)nn21
InChIInChI=1S/C11H15N3O2/c15-11(16)8-5-2-6-9-12-10(13-14(8)9)7-3-1-4-7/h7-8H,1-6H2,(H,15,16)
InChIKeyQROSJZNUCBELHS-UHFFFAOYSA-N
XLogP1.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 83866082) is 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2nc(C3CCC3)nn21.
What is the InChIKey of 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is QROSJZNUCBELHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)8-5-2-6-9-12-10(13-14(8)9)7-3-1-4-7/h7-8H,1-6H2,(H,15,16).
What are the key properties of 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 83866082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).