5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid

C14H16N4O3 — CID 137375571

IUPAC5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1-c1ccccc1N1CCOCC1
InChIInChI=1S/C14H16N4O3/c1-10-13(14(19)20)15-16-18(10)12-5-3-2-4-11(12)17-6-8-21-9-7-17/h2-5H,6-9H2,1H3,(H,19,20)
InChIKeyUXPOYIXOMHDIPY-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.11
Rot. Bonds3

About 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid

5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid (PubChem CID 137375571) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid
PubChem CID137375571
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid
SMILESCc1c(C(=O)O)nnn1-c1ccccc1N1CCOCC1
InChIInChI=1S/C14H16N4O3/c1-10-13(14(19)20)15-16-18(10)12-5-3-2-4-11(12)17-6-8-21-9-7-17/h2-5H,6-9H2,1H3,(H,19,20)
InChIKeyUXPOYIXOMHDIPY-UHFFFAOYSA-N
XLogP1.11
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid (CID 137375571) is 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid is Cc1c(C(=O)O)nnn1-c1ccccc1N1CCOCC1.
What is the InChIKey of 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid?
The InChIKey is UXPOYIXOMHDIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-13(14(19)20)15-16-18(10)12-5-3-2-4-11(12)17-6-8-21-9-7-17/h2-5H,6-9H2,1H3,(H,19,20).
What are the key properties of 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid?
5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 137375571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).