Details of the Drug

General Information of Drug (ID: DME8MN1)

Drug Name

1,2,4-triazole derivative 1

Synonyms

PMID26161824-Compound-92

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Patented	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

436.7

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H16Cl3N5O
IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-1,2,4-triazole-3-carboxamide
Canonical SMILES: C1CCN(C1)NC(=O)C2=NN(C(=N2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl
InChI: InChI=1S/C19H16Cl3N5O/c20-13-5-3-12(4-6-13)18-23-17(19(28)25-26-9-1-2-10-26)24-27(18)16-8-7-14(21)11-15(16)22/h3-8,11H,1-2,9-10H2,(H,25,28)
InChIKey: ONYKENLNZNVNBN-UHFFFAOYSA-N