1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid

C8H12N4O2 — CID 175941720

IUPAC1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C8H12N4O2/c13-7(14)6-1-3-12(4-2-6)8-9-5-10-11-8/h5-6H,1-4H2,(H,13,14)(H,9,10,11)
InChIKeyWBVLGFOEVBDEHH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.11
Rot. Bonds2

About 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid

1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 175941720) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid
PubChem CID175941720
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C8H12N4O2/c13-7(14)6-1-3-12(4-2-6)8-9-5-10-11-8/h5-6H,1-4H2,(H,13,14)(H,9,10,11)
InChIKeyWBVLGFOEVBDEHH-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine
CID 102799267
1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 141318848
N-methyl-1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
CID 102800213
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
1-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64524307
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
(5R)-1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
CID 126451283
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 64532171
(2S)-N-cyclopentyl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]butanamide
CID 124752366
2-[(3R)-oxan-3-yl]-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethanone
CID 125157593
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118765935
1-(5-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 165469091

Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid (CID 175941720) is 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is WBVLGFOEVBDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c13-7(14)6-1-3-12(4-2-6)8-9-5-10-11-8/h5-6H,1-4H2,(H,13,14)(H,9,10,11).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid?
1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 175941720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).