5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid

C11H16N4O4 — CID 55029736

IUPAC5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1CC(=O)N1CCOCC1
InChIInChI=1S/C11H16N4O4/c1-2-8-10(11(17)18)12-13-15(8)7-9(16)14-3-5-19-6-4-14/h2-7H2,1H3,(H,17,18)
InChIKeyBKPYUSXTCUTDEX-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.60
Rot. Bonds4

About 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid

5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid (PubChem CID 55029736) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid
PubChem CID55029736
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)nnn1CC(=O)N1CCOCC1
InChIInChI=1S/C11H16N4O4/c1-2-8-10(11(17)18)12-13-15(8)7-9(16)14-3-5-19-6-4-14/h2-7H2,1H3,(H,17,18)
InChIKeyBKPYUSXTCUTDEX-UHFFFAOYSA-N
XLogP-0.60
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid (CID 55029736) is 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid is CCc1c(C(=O)O)nnn1CC(=O)N1CCOCC1.
What is the InChIKey of 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid?
The InChIKey is BKPYUSXTCUTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-8-10(11(17)18)12-13-15(8)7-9(16)14-3-5-19-6-4-14/h2-7H2,1H3,(H,17,18).
What are the key properties of 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid?
5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 55029736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).