5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid

C11H19N5O3 — CID 103119231

IUPAC5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
SMILESNCCc1c(C(=O)O)nnn1CCN1CCOCC1
InChIInChI=1S/C11H19N5O3/c12-2-1-9-10(11(17)18)13-14-16(9)4-3-15-5-7-19-8-6-15/h1-8,12H2,(H,17,18)
InChIKeyCNUWQBZKKZDIRK-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.19
Rot. Bonds6

About 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid

5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid (PubChem CID 103119231) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
PubChem CID103119231
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
SMILESNCCc1c(C(=O)O)nnn1CCN1CCOCC1
InChIInChI=1S/C11H19N5O3/c12-2-1-9-10(11(17)18)13-14-16(9)4-3-15-5-7-19-8-6-15/h1-8,12H2,(H,17,18)
InChIKeyCNUWQBZKKZDIRK-UHFFFAOYSA-N
XLogP-1.19
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
CID 103106195
5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid
CID 103119120
5-(2-aminoethyl)-1-(oxolan-3-ylmethyl)triazole-4-carboxylic acid
CID 103119018
1-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642856
1-(2-aminoethyl)-5-propyltriazole-4-carboxylic acid
CID 62054059
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
5-ethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]triazole-4-carboxylic acid
CID 82891911
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
2-[1-(2-morpholin-4-ylethyl)tetrazol-5-yl]ethanamine
CID 82228359
5-(2-aminoethyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 103118808
5-(2-aminoethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 103118767
5-(2-aminoethyl)-1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 103119301

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid (CID 103119231) is 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid is NCCc1c(C(=O)O)nnn1CCN1CCOCC1.
What is the InChIKey of 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
The InChIKey is CNUWQBZKKZDIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c12-2-1-9-10(11(17)18)13-14-16(9)4-3-15-5-7-19-8-6-15/h1-8,12H2,(H,17,18).
What are the key properties of 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid?
5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 103119231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).