1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole

C10H6Cl2F3N3 — CID 146437909

IUPAC1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole
SMILESCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1
InChIInChI=1S/C10H6Cl2F3N3/c1-5-4-18(17-16-5)7-3-2-6(11)8(9(7)12)10(13,14)15/h2-4H,1H3
InChIKeyNZTJXECZBYZKHM-UHFFFAOYSA-N
MW296.08 g/mol
LogP3.90
Rot. Bonds1

About 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole

1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole (PubChem CID 146437909) has the molecular formula C10H6Cl2F3N3 and a molecular weight of 296.08 g/mol. Its IUPAC name is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole.

Molecular Properties

Compound Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole
PubChem CID146437909
Molecular FormulaC10H6Cl2F3N3
Molecular Weight296.08 g/mol
Exact Mass294.99
IUPAC Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole
SMILESCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1
InChIInChI=1S/C10H6Cl2F3N3/c1-5-4-18(17-16-5)7-3-2-6(11)8(9(7)12)10(13,14)15/h2-4H,1H3
InChIKeyNZTJXECZBYZKHM-UHFFFAOYSA-N
XLogP3.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole?
The IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole (CID 146437909) is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole.
What is the SMILES notation for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole?
The canonical SMILES for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole is Cc1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1.
What is the InChIKey of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole?
The InChIKey is NZTJXECZBYZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N3/c1-5-4-18(17-16-5)7-3-2-6(11)8(9(7)12)10(13,14)15/h2-4H,1H3.
What are the key properties of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole?
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole has a molecular weight of 296.08 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-methyltriazole is sourced from PubChem (CID 146437909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).