3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid

C8H12N4O2 — CID 83879786

IUPAC3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid
SMILESO=C(O)c1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C8H12N4O2/c13-7(14)6-9-8(11-10-6)12-4-2-1-3-5-12/h1-5H2,(H,13,14)(H,9,10,11)
InChIKeyJZOPZTUFOVPNIO-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.49
Rot. Bonds2

About 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid

3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid (PubChem CID 83879786) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid.

Molecular Properties

Compound Name3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid
PubChem CID83879786
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid
SMILESO=C(O)c1nc(N2CCCCC2)n[nH]1
InChIInChI=1S/C8H12N4O2/c13-7(14)6-9-8(11-10-6)12-4-2-1-3-5-12/h1-5H2,(H,13,14)(H,9,10,11)
InChIKeyJZOPZTUFOVPNIO-UHFFFAOYSA-N
XLogP0.49
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid?
The IUPAC name of 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid (CID 83879786) is 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid.
What is the SMILES notation for 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid?
The canonical SMILES for 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid is O=C(O)c1nc(N2CCCCC2)n[nH]1.
What is the InChIKey of 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid?
The InChIKey is JZOPZTUFOVPNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7(14)6-9-8(11-10-6)12-4-2-1-3-5-12/h1-5H2,(H,13,14)(H,9,10,11).
What are the key properties of 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid?
3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid is sourced from PubChem (CID 83879786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).