3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole

C18H15ClFN3 — CID 59216108

IUPAC3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
SMILESCn1c(-c2ccc(Cl)cc2F)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C18H15ClFN3/c1-23-16(14-8-7-13(19)11-15(14)20)21-22-17(23)18(9-10-18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyIVJYBYPFEFYLKH-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.35
Rot. Bonds3

About 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole

3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole (PubChem CID 59216108) has the molecular formula C18H15ClFN3 and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
PubChem CID59216108
Molecular FormulaC18H15ClFN3
Molecular Weight327.79 g/mol
Exact Mass327.09
IUPAC Name3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole
SMILESCn1c(-c2ccc(Cl)cc2F)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C18H15ClFN3/c1-23-16(14-8-7-13(19)11-15(14)20)21-22-17(23)18(9-10-18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyIVJYBYPFEFYLKH-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole (CID 59216108) is 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole is Cn1c(-c2ccc(Cl)cc2F)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
The InChIKey is IVJYBYPFEFYLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3/c1-23-16(14-8-7-13(19)11-15(14)20)21-22-17(23)18(9-10-18)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole?
3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole has a molecular weight of 327.79 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole is sourced from PubChem (CID 59216108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).