5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid

C10H14N6O4 — CID 103118721

IUPAC5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESNCCc1c(C(=O)O)nnn1CC(=O)N1CCNC1=O
InChIInChI=1S/C10H14N6O4/c11-2-1-6-8(9(18)19)13-14-16(6)5-7(17)15-4-3-12-10(15)20/h1-5,11H2,(H,12,20)(H,18,19)
InChIKeyAVRBRLLIUBMNNU-UHFFFAOYSA-N
MW282.26 g/mol
LogP-1.97
Rot. Bonds5

About 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid

5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid (PubChem CID 103118721) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid
PubChem CID103118721
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid
SMILESNCCc1c(C(=O)O)nnn1CC(=O)N1CCNC1=O
InChIInChI=1S/C10H14N6O4/c11-2-1-6-8(9(18)19)13-14-16(6)5-7(17)15-4-3-12-10(15)20/h1-5,11H2,(H,12,20)(H,18,19)
InChIKeyAVRBRLLIUBMNNU-UHFFFAOYSA-N
XLogP-1.97
TPSA143.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid
CID 103121367
methyl 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylate
CID 103118053
1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642919
5-(2-aminoethyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 103118808
5-(2-aminoethyl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 103118736
5-(2-aminoethyl)-1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 103119301
5-(aminomethyl)-1-[2-(azetidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 103121400
5-(2-aminoethyl)-1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 103119231
5-(2-aminoethyl)-1-(2-anilino-2-oxoethyl)triazole-4-carboxylic acid
CID 103118960
1-(2-aminoethyl)-5-propyltriazole-4-carboxylic acid
CID 62054059
5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid
CID 103119120
5-(2-aminoethyl)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]triazole-4-carboxylic acid
CID 103119270

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid (CID 103118721) is 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid is NCCc1c(C(=O)O)nnn1CC(=O)N1CCNC1=O.
What is the InChIKey of 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid?
The InChIKey is AVRBRLLIUBMNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4/c11-2-1-6-8(9(18)19)13-14-16(6)5-7(17)15-4-3-12-10(15)20/h1-5,11H2,(H,12,20)(H,18,19).
What are the key properties of 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid?
5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of -1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103118721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).