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

C15H11ClFN3 — CID 3599741

IUPAC1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole
SMILESCc1c(Cl)cccc1-n1ncnc1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3/c1-10-13(16)3-2-4-14(10)20-15(18-9-19-20)11-5-7-12(17)8-6-11/h2-9H,1H3
InChIKeyXMWRQBISRCATCO-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.04
Rot. Bonds2

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

1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole (PubChem CID 3599741) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole
PubChem CID3599741
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole
SMILESCc1c(Cl)cccc1-n1ncnc1-c1ccc(F)cc1
InChIInChI=1S/C15H11ClFN3/c1-10-13(16)3-2-4-14(10)20-15(18-9-19-20)11-5-7-12(17)8-6-11/h2-9H,1H3
InChIKeyXMWRQBISRCATCO-UHFFFAOYSA-N
XLogP4.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole (CID 3599741) is 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole is Cc1c(Cl)cccc1-n1ncnc1-c1ccc(F)cc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
The InChIKey is XMWRQBISRCATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c1-10-13(16)3-2-4-14(10)20-15(18-9-19-20)11-5-7-12(17)8-6-11/h2-9H,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole?
1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole has a molecular weight of 287.73 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-1,2,4-triazole is sourced from PubChem (CID 3599741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).