5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid

C11H18N4O2 — CID 62054566

IUPAC5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1CCN1CCCCC1
InChIInChI=1S/C11H18N4O2/c1-9-10(11(16)17)12-13-15(9)8-7-14-5-3-2-4-6-14/h2-8H2,1H3,(H,16,17)
InChIKeyPOGTZORAZKGDFJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.77
Rot. Bonds4

About 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid

5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid (PubChem CID 62054566) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid
PubChem CID62054566
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1CCN1CCCCC1
InChIInChI=1S/C11H18N4O2/c1-9-10(11(16)17)12-13-15(9)8-7-14-5-3-2-4-6-14/h2-8H2,1H3,(H,16,17)
InChIKeyPOGTZORAZKGDFJ-UHFFFAOYSA-N
XLogP0.77
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 82211172
2-methylpropyl 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylate
CID 103112836
1-[2-(azepan-1-yl)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62056116
1-decyl-5-methyltriazole-4-carboxylic acid
CID 55049001
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211016
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
2-methoxyethyl 5-methyl-1-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxylate
CID 103112156
5-(3-methylimidazol-4-yl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylic acid
CID 103115594
5-(2-phenylethyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylic acid
CID 94946159
5-(oxolan-2-yl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylic acid
CID 82210994
3-[5-methyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]propan-1-ol
CID 82211180
5-ethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 82891911

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid (CID 62054566) is 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid is Cc1c(C(=O)O)nnn1CCN1CCCCC1.
What is the InChIKey of 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid?
The InChIKey is POGTZORAZKGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-10(11(16)17)12-13-15(9)8-7-14-5-3-2-4-6-14/h2-8H2,1H3,(H,16,17).
What are the key properties of 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid?
5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 62054566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).