4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole

C17H16FN3O3 — CID 59430202

IUPAC4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
SMILESCOc1cc(OC)c(-c2n[nH]nc2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H16FN3O3/c1-22-13-9-15(24-3)14(23-2)8-12(13)17-16(19-21-20-17)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,20,21)
InChIKeySZDORQADZONQBT-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.30
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole

4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole (PubChem CID 59430202) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
PubChem CID59430202
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
SMILESCOc1cc(OC)c(-c2n[nH]nc2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H16FN3O3/c1-22-13-9-15(24-3)14(23-2)8-12(13)17-16(19-21-20-17)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,20,21)
InChIKeySZDORQADZONQBT-UHFFFAOYSA-N
XLogP3.30
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole?
The IUPAC name of 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole (CID 59430202) is 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole is COc1cc(OC)c(-c2n[nH]nc2-c2ccc(F)cc2)cc1OC.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole?
The InChIKey is SZDORQADZONQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-22-13-9-15(24-3)14(23-2)8-12(13)17-16(19-21-20-17)10-4-6-11(18)7-5-10/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole?
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole has a molecular weight of 329.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole is sourced from PubChem (CID 59430202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).