5-piperidin-4-yl-2H-triazole-4-carboxylic acid

C8H12N4O2 — CID 103123476

IUPAC5-piperidin-4-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1C1CCNCC1
InChIInChI=1S/C8H12N4O2/c13-8(14)7-6(10-12-11-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H,13,14)(H,10,11,12)
InChIKeyYAIMBVDDXPHFMA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.03
Rot. Bonds2

About 5-piperidin-4-yl-2H-triazole-4-carboxylic acid

5-piperidin-4-yl-2H-triazole-4-carboxylic acid (PubChem CID 103123476) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-piperidin-4-yl-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-piperidin-4-yl-2H-triazole-4-carboxylic acid
PubChem CID103123476
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-piperidin-4-yl-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1C1CCNCC1
InChIInChI=1S/C8H12N4O2/c13-8(14)7-6(10-12-11-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H,13,14)(H,10,11,12)
InChIKeyYAIMBVDDXPHFMA-UHFFFAOYSA-N
XLogP-0.03
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyl-2H-triazole-4-carboxylic acid
CID 105433344
5-pyrrolidin-2-yl-2H-triazole-4-carboxylic acid
CID 165464255
5-cyclopropyl-N,N-bis(prop-2-enyl)-2H-triazole-4-carboxamide
CID 166309180
5-(2,2,3,3-tetramethylcyclopropyl)-2H-triazole-4-carboxylic acid
CID 165467352
3-amino-6-piperidin-4-ylpyridine-2-carboxylic acid
CID 115032604
2-methyl-4-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 105484003
ethyl 5-cycloheptyl-2H-triazole-4-carboxylate
CID 165488917
1-methyl-4-piperidin-4-ylpyrazole-3-carboxylic acid
CID 84676920
5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
CID 83409074
4-hydroxy-5-piperidin-4-yl-1,3-dihydroimidazol-2-one
CID 54339870
1-[2-(diethylamino)ethyl]-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123333
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123557

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-piperidin-4-yl-2H-triazole-4-carboxylic acid (CID 103123476) is 5-piperidin-4-yl-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-piperidin-4-yl-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-piperidin-4-yl-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1C1CCNCC1.
What is the InChIKey of 5-piperidin-4-yl-2H-triazole-4-carboxylic acid?
The InChIKey is YAIMBVDDXPHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-8(14)7-6(10-12-11-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H,13,14)(H,10,11,12).
What are the key properties of 5-piperidin-4-yl-2H-triazole-4-carboxylic acid?
5-piperidin-4-yl-2H-triazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 103123476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).