5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid

C10H16N4O3 — CID 62060940

IUPAC5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid
SMILESCCCNC(=O)Cn1nnc(C(=O)O)c1CC
InChIInChI=1S/C10H16N4O3/c1-3-5-11-8(15)6-14-7(4-2)9(10(16)17)12-13-14/h3-6H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyJVFDOPDIFKCMFX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.06
Rot. Bonds6

About 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid

5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid (PubChem CID 62060940) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid
PubChem CID62060940
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid
SMILESCCCNC(=O)Cn1nnc(C(=O)O)c1CC
InChIInChI=1S/C10H16N4O3/c1-3-5-11-8(15)6-14-7(4-2)9(10(16)17)12-13-14/h3-6H2,1-2H3,(H,11,15)(H,16,17)
InChIKeyJVFDOPDIFKCMFX-UHFFFAOYSA-N
XLogP0.06
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059798
1-[2-(butan-2-ylamino)-2-oxoethyl]-5-ethyltriazole-4-carboxylic acid
CID 62061079
1-[2-(3-methylbutylamino)-2-oxoethyl]-5-propyltriazole-4-carboxylic acid
CID 62053715
5-ethyl-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62061235
5-(2-methylpropyl)-1-[2-(2-methylpropylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202249
1-[2-(2-carbamoylanilino)-2-oxoethyl]-5-ethyltriazole-4-carboxylic acid
CID 94935368
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-5-ethyltriazole-4-carboxylic acid
CID 62060120
5-(aminomethyl)-1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]triazole-4-carboxylic acid
CID 103121639
1-[2-(3-bromoanilino)-2-oxoethyl]-5-ethyltriazole-4-carboxylic acid
CID 62061233
5-(3-methoxyphenyl)-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid
CID 94946264
5-ethyl-1-(2-hydroxy-2-methylpropyl)triazole-4-carboxylic acid
CID 62060604
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-propylacetamide
CID 82211365

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid (CID 62060940) is 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid is CCCNC(=O)Cn1nnc(C(=O)O)c1CC.
What is the InChIKey of 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid?
The InChIKey is JVFDOPDIFKCMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-5-11-8(15)6-14-7(4-2)9(10(16)17)12-13-14/h3-6H2,1-2H3,(H,11,15)(H,16,17).
What are the key properties of 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid?
5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 62060940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).