5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole

C19H17ClFN3O — CID 74246924

IUPAC5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccc(Cn2nc(C3CC3)nc2-c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-25-14-9-5-12(6-10-14)11-24-19(22-18(23-24)13-7-8-13)17-15(20)3-2-4-16(17)21/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyIMMWJVJTZUSXPE-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.67
Rot. Bonds5

About 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole

5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole (PubChem CID 74246924) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole
PubChem CID74246924
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccc(Cn2nc(C3CC3)nc2-c2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-25-14-9-5-12(6-10-14)11-24-19(22-18(23-24)13-7-8-13)17-15(20)3-2-4-16(17)21/h2-6,9-10,13H,7-8,11H2,1H3
InChIKeyIMMWJVJTZUSXPE-UHFFFAOYSA-N
XLogP4.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole (CID 74246924) is 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole is COc1ccc(Cn2nc(C3CC3)nc2-c2c(F)cccc2Cl)cc1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole?
The InChIKey is IMMWJVJTZUSXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-25-14-9-5-12(6-10-14)11-24-19(22-18(23-24)13-7-8-13)17-15(20)3-2-4-16(17)21/h2-6,9-10,13H,7-8,11H2,1H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole?
5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole has a molecular weight of 357.82 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 74246924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).