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

C18H14Cl2FN3 — CID 59216044

IUPAC3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccc(Cl)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H14Cl2FN3/c1-24-16(14-7-4-12(19)10-15(14)20)22-23-17(24)18(8-9-18)11-2-5-13(21)6-3-11/h2-7,10H,8-9H2,1H3
InChIKeyFLWVODGFOARHSN-UHFFFAOYSA-N
MW362.24 g/mol
LogP5.01
Rot. Bonds3

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

3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole (PubChem CID 59216044) has the molecular formula C18H14Cl2FN3 and a molecular weight of 362.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
PubChem CID59216044
Molecular FormulaC18H14Cl2FN3
Molecular Weight362.24 g/mol
Exact Mass361.05
IUPAC Name3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole
SMILESCn1c(-c2ccc(Cl)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H14Cl2FN3/c1-24-16(14-7-4-12(19)10-15(14)20)22-23-17(24)18(8-9-18)11-2-5-13(21)6-3-11/h2-7,10H,8-9H2,1H3
InChIKeyFLWVODGFOARHSN-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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole (CID 59216044) is 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole is Cn1c(-c2ccc(Cl)cc2Cl)nnc1C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
The InChIKey is FLWVODGFOARHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3/c1-24-16(14-7-4-12(19)10-15(14)20)22-23-17(24)18(8-9-18)11-2-5-13(21)6-3-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole?
3-(2,4-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-(2,4-dichlorophenyl)-5-[1-(4-fluorophenyl)cyclopropyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 59216044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).