3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole

C19H17ClFN3 — CID 20724903

IUPAC3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2cccc(F)c2)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H17ClFN3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
InChIKeyQIZUXQUFXCPBPX-UHFFFAOYSA-N
MW341.82 g/mol
LogP4.74
Rot. Bonds3

About 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole

3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole (PubChem CID 20724903) has the molecular formula C19H17ClFN3 and a molecular weight of 341.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole
PubChem CID20724903
Molecular FormulaC19H17ClFN3
Molecular Weight341.82 g/mol
Exact Mass341.11
IUPAC Name3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1c(-c2cccc(F)c2)nnc1C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C19H17ClFN3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3
InChIKeyQIZUXQUFXCPBPX-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole (CID 20724903) is 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole is Cn1c(-c2cccc(F)c2)nnc1C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole?
The InChIKey is QIZUXQUFXCPBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3/c1-24-17(13-4-2-5-16(21)12-13)22-23-18(24)19(10-3-11-19)14-6-8-15(20)9-7-14/h2,4-9,12H,3,10-11H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole?
3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole has a molecular weight of 341.82 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclobutyl]-5-(3-fluorophenyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 20724903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).