4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole

C11H10BrCl2N3 — CID 103481597

IUPAC4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1cccc(Cl)c1Br
InChIInChI=1S/C11H10BrCl2N3/c1-2-4-9-15-16-11(14)17(9)8-6-3-5-7(13)10(8)12/h3,5-6H,2,4H2,1H3
InChIKeyFANUZNYBNWJSTI-UHFFFAOYSA-N
MW335.03 g/mol
LogP4.29
Rot. Bonds3

About 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole

4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole (PubChem CID 103481597) has the molecular formula C11H10BrCl2N3 and a molecular weight of 335.03 g/mol. Its IUPAC name is 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole
PubChem CID103481597
Molecular FormulaC11H10BrCl2N3
Molecular Weight335.03 g/mol
Exact Mass332.94
IUPAC Name4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole
SMILESCCCc1nnc(Cl)n1-c1cccc(Cl)c1Br
InChIInChI=1S/C11H10BrCl2N3/c1-2-4-9-15-16-11(14)17(9)8-6-3-5-7(13)10(8)12/h3,5-6H,2,4H2,1H3
InChIKeyFANUZNYBNWJSTI-UHFFFAOYSA-N
XLogP4.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.03
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
The IUPAC name of 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole (CID 103481597) is 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole.
What is the SMILES notation for 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
The canonical SMILES for 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole is CCCc1nnc(Cl)n1-c1cccc(Cl)c1Br.
What is the InChIKey of 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
The InChIKey is FANUZNYBNWJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3/c1-2-4-9-15-16-11(14)17(9)8-6-3-5-7(13)10(8)12/h3,5-6H,2,4H2,1H3.
What are the key properties of 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole?
4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole has a molecular weight of 335.03 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-chlorophenyl)-3-chloro-5-propyl-1,2,4-triazole is sourced from PubChem (CID 103481597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).