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

C12H18N4O2 — CID 117155922

IUPAC2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2nc(C3CCNCC3)nc2C1
InChIInChI=1S/C12H18N4O2/c17-12(18)9-3-6-16-10(7-9)14-11(15-16)8-1-4-13-5-2-8/h8-9,13H,1-7H2,(H,17,18)
InChIKeyROOLTTAQTWSDNU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.39
Rot. Bonds2

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

2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117155922) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117155922
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2nc(C3CCNCC3)nc2C1
InChIInChI=1S/C12H18N4O2/c17-12(18)9-3-6-16-10(7-9)14-11(15-16)8-1-4-13-5-2-8/h8-9,13H,1-7H2,(H,17,18)
InChIKeyROOLTTAQTWSDNU-UHFFFAOYSA-N
XLogP0.39
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 117155922) is 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is O=C(O)C1CCn2nc(C3CCNCC3)nc2C1.
What is the InChIKey of 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is ROOLTTAQTWSDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c17-12(18)9-3-6-16-10(7-9)14-11(15-16)8-1-4-13-5-2-8/h8-9,13H,1-7H2,(H,17,18).
What are the key properties of 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117155922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).