1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid

C10H14F2N4O4 — CID 103206086

IUPAC1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid
SMILESO=C(CCOCC(F)F)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H14F2N4O4/c11-8(12)6-20-4-1-9(17)13-2-3-16-5-7(10(18)19)14-15-16/h5,8H,1-4,6H2,(H,13,17)(H,18,19)
InChIKeySGJDLXAXIZVBMO-UHFFFAOYSA-N
MW292.24 g/mol
LogP-0.24
Rot. Bonds9

About 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid

1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid (PubChem CID 103206086) has the molecular formula C10H14F2N4O4 and a molecular weight of 292.24 g/mol. Its IUPAC name is 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid
PubChem CID103206086
Molecular FormulaC10H14F2N4O4
Molecular Weight292.24 g/mol
Exact Mass292.10
IUPAC Name1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid
SMILESO=C(CCOCC(F)F)NCCn1cc(C(=O)O)nn1
InChIInChI=1S/C10H14F2N4O4/c11-8(12)6-20-4-1-9(17)13-2-3-16-5-7(10(18)19)14-15-16/h5,8H,1-4,6H2,(H,13,17)(H,18,19)
InChIKeySGJDLXAXIZVBMO-UHFFFAOYSA-N
XLogP-0.24
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]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

1-[2-[3-(propan-2-ylamino)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 107500250
1-[2-(6-aminohexanoylamino)ethyl]triazole-4-carboxylic acid
CID 107500147
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500149
1-[2-[(4-amino-3-methylbutanoyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500135
1-[2-(2-methoxyethoxyamino)ethyl]triazole-4-carboxylic acid
CID 103261684
3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 103206343
1-[2-(2-but-3-enoxyethylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 106405060
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
1-(2-fluoroethyl)triazole-4-carboxylic acid
CID 79006648
1-[2-(pentan-3-ylamino)ethyl]triazole-4-carboxylic acid
CID 103231103
6-[3-(2,2-difluoroethoxy)propanoylamino]hexanoic acid
CID 103205763
1-[2-(piperidin-1-ylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 83020136

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid (CID 103206086) is 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid is O=C(CCOCC(F)F)NCCn1cc(C(=O)O)nn1.
What is the InChIKey of 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid?
The InChIKey is SGJDLXAXIZVBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O4/c11-8(12)6-20-4-1-9(17)13-2-3-16-5-7(10(18)19)14-15-16/h5,8H,1-4,6H2,(H,13,17)(H,18,19).
What are the key properties of 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid?
1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid has a molecular weight of 292.24 g/mol, XLogP of -0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2-difluoroethoxy)propanoylamino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 103206086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).