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

C11H9Cl3FN3 — CID 107579539

IUPAC3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H9Cl3FN3/c1-2-3-9-16-17-11(14)18(9)6-4-7(12)10(15)8(13)5-6/h4-5H,2-3H2,1H3
InChIKeyZPODXPAZFKGDLO-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.32
Rot. Bonds3

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

3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole (PubChem CID 107579539) has the molecular formula C11H9Cl3FN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole
PubChem CID107579539
Molecular FormulaC11H9Cl3FN3
Molecular Weight308.57 g/mol
Exact Mass306.98
IUPAC Name3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H9Cl3FN3/c1-2-3-9-16-17-11(14)18(9)6-4-7(12)10(15)8(13)5-6/h4-5H,2-3H2,1H3
InChIKeyZPODXPAZFKGDLO-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(3,4-difluorophenyl)-5-propyl-1,2,4-triazole
CID 63384989
3-chloro-4-(3-chloro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 55184756
3-chloro-4-(3-fluoro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 63384436
3-chloro-4-(3-chloro-2-fluorophenyl)-5-propyl-1,2,4-triazole
CID 63385658
3-chloro-4-phenyl-5-propyl-1,2,4-triazole
CID 63384640
3-chloro-4-(2-fluoro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 55182755
4-(5-bromo-2-fluorophenyl)-3-chloro-5-propyl-1,2,4-triazole
CID 55183656
4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole
CID 103481597
4-(3,4-dichlorophenyl)-3-propyl-1H-1,2,4-triazole-5-thione
CID 17372157
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
3-chloro-4-(2,2-difluoroethyl)-5-propyl-1,2,4-triazole
CID 115408772
3-chloro-4-(2-propan-2-ylphenyl)-5-propyl-1,2,4-triazole
CID 55185291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole (CID 107579539) is 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1-c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole?
The InChIKey is ZPODXPAZFKGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3FN3/c1-2-3-9-16-17-11(14)18(9)6-4-7(12)10(15)8(13)5-6/h4-5H,2-3H2,1H3.
What are the key properties of 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole?
3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole has a molecular weight of 308.57 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole is sourced from PubChem (CID 107579539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).