1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid

C10H12N4O5 — CID 112568004

IUPAC1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cn[nH]n2)CC1C(=O)O
InChIInChI=1S/C10H12N4O5/c15-8(7-3-11-13-12-7)14-2-1-5(9(16)17)6(4-14)10(18)19/h3,5-6H,1-2,4H2,(H,16,17)(H,18,19)(H,11,12,13)
InChIKeyQWNMSVODKIPYHL-UHFFFAOYSA-N
MW268.23 g/mol
LogP-0.95
Rot. Bonds3

About 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid

1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112568004) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID112568004
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cn[nH]n2)CC1C(=O)O
InChIInChI=1S/C10H12N4O5/c15-8(7-3-11-13-12-7)14-2-1-5(9(16)17)6(4-14)10(18)19/h3,5-6H,1-2,4H2,(H,16,17)(H,18,19)(H,11,12,13)
InChIKeyQWNMSVODKIPYHL-UHFFFAOYSA-N
XLogP-0.95
TPSA136.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 115301640
[3-(aminomethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 63282840
(3-methoxypyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 103536935
(3-propan-2-ylpyrrolidin-1-yl)-(2H-triazol-4-yl)methanone
CID 115686992
(4-bromopiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 80662677
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 103975879
1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 110475443
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 118782933

Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid (CID 112568004) is 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)c2cn[nH]n2)CC1C(=O)O.
What is the InChIKey of 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is QWNMSVODKIPYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c15-8(7-3-11-13-12-7)14-2-1-5(9(16)17)6(4-14)10(18)19/h3,5-6H,1-2,4H2,(H,16,17)(H,18,19)(H,11,12,13).
What are the key properties of 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 268.23 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).