2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid

C18H21ClN4O3 — CID 122067149

IUPAC2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
SMILESCCCc1nc(C(=O)N(C2CC2)C(C)C(=O)O)nn1-c1ccccc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-3-6-15-20-16(21-23(15)14-8-5-4-7-13(14)19)17(24)22(12-9-10-12)11(2)18(25)26/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,25,26)
InChIKeyMOLGQLXAAYTDRX-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.95
Rot. Bonds7

About 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid

2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid (PubChem CID 122067149) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
PubChem CID122067149
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid
SMILESCCCc1nc(C(=O)N(C2CC2)C(C)C(=O)O)nn1-c1ccccc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-3-6-15-20-16(21-23(15)14-8-5-4-7-13(14)19)17(24)22(12-9-10-12)11(2)18(25)26/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,25,26)
InChIKeyMOLGQLXAAYTDRX-UHFFFAOYSA-N
XLogP2.95
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid (CID 122067149) is 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid is CCCc1nc(C(=O)N(C2CC2)C(C)C(=O)O)nn1-c1ccccc1Cl.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid?
The InChIKey is MOLGQLXAAYTDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-3-6-15-20-16(21-23(15)14-8-5-4-7-13(14)19)17(24)22(12-9-10-12)11(2)18(25)26/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,25,26).
What are the key properties of 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid?
2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid has a molecular weight of 376.84 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-5-propyl-1,2,4-triazole-3-carbonyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 122067149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).