4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole

C15H12FN3O — CID 59983928

IUPAC4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C15H12FN3O/c1-20-13-7-5-10(6-8-13)14-15(18-19-17-14)11-3-2-4-12(16)9-11/h2-9H,1H3,(H,17,18,19)
InChIKeyAZRYVRFCJYBFPQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.29
Rot. Bonds3

About 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole

4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole (PubChem CID 59983928) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole
PubChem CID59983928
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1
InChIInChI=1S/C15H12FN3O/c1-20-13-7-5-10(6-8-13)14-15(18-19-17-14)11-3-2-4-12(16)9-11/h2-9H,1H3,(H,17,18,19)
InChIKeyAZRYVRFCJYBFPQ-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole?
The IUPAC name of 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole (CID 59983928) is 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole is COc1ccc(-c2n[nH]nc2-c2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole?
The InChIKey is AZRYVRFCJYBFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-20-13-7-5-10(6-8-13)14-15(18-19-17-14)11-3-2-4-12(16)9-11/h2-9H,1H3,(H,17,18,19).
What are the key properties of 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole?
4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole has a molecular weight of 269.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(4-methoxyphenyl)-2H-triazole is sourced from PubChem (CID 59983928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).