3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole

C18H14Cl2FN3 — CID 59216115

IUPAC3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2cccc(Cl)c2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H14Cl2FN3/c1-24-16(13-3-2-4-14(19)15(13)20)22-23-17(24)18(9-10-18)11-5-7-12(21)8-6-11/h2-8H,9-10H2,1H3
InChIKeyOBWKAGRYAPUBBF-UHFFFAOYSA-N
MW362.24 g/mol
LogP5.01
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole

3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole (PubChem CID 59216115) has the molecular formula C18H14Cl2FN3 and a molecular weight of 362.24 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
PubChem CID59216115
Molecular FormulaC18H14Cl2FN3
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2cccc(Cl)c2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H14Cl2FN3/c1-24-16(13-3-2-4-14(19)15(13)20)22-23-17(24)18(9-10-18)11-5-7-12(21)8-6-11/h2-8H,9-10H2,1H3
InChIKeyOBWKAGRYAPUBBF-UHFFFAOYSA-N
XLogP5.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.24
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole 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 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole (CID 59216115) is 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole is Cn1c(-c2cccc(Cl)c2Cl)nnc1C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
The InChIKey is OBWKAGRYAPUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3/c1-24-16(13-3-2-4-14(19)15(13)20)22-23-17(24)18(9-10-18)11-5-7-12(21)8-6-11/h2-8H,9-10H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole has a molecular weight of 362.24 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 59216115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).