3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole

C10H6Cl2F3N3 — CID 55184758

IUPAC3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H6Cl2F3N3/c1-5-16-17-9(12)18(5)8-3-2-6(11)4-7(8)10(13,14)15/h2-4H,1H3
InChIKeyQJSKCZXOSYDVJP-UHFFFAOYSA-N
MW296.08 g/mol
LogP3.90
Rot. Bonds1

About 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole

3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole (PubChem CID 55184758) has the molecular formula C10H6Cl2F3N3 and a molecular weight of 296.08 g/mol. Its IUPAC name is 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole
PubChem CID55184758
Molecular FormulaC10H6Cl2F3N3
Molecular Weight296.08 g/mol
Exact Mass294.99
IUPAC Name3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole
SMILESCc1nnc(Cl)n1-c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C10H6Cl2F3N3/c1-5-16-17-9(12)18(5)8-3-2-6(11)4-7(8)10(13,14)15/h2-4H,1H3
InChIKeyQJSKCZXOSYDVJP-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

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Related Compounds

4-[4-bromo-2-(trifluoromethyl)phenyl]-3-chloro-5-methyl-1,2,4-triazole
CID 63385282
3-chloro-5-methyl-4-(2,4,5-trifluorophenyl)-1,2,4-triazole
CID 63385778
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine
CID 102942299
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylpyrazole-3-carboxylic acid
CID 105421473
4-(chloromethyl)-1-[4-chloro-2-(trifluoromethyl)phenyl]triazole
CID 62401547
2-[1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]acetic acid
CID 43671455
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
3-chloro-4-(4-chloro-2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole
CID 63389450
3-(3-chloro-5-methyl-1,2,4-triazol-4-yl)-4-methylpyridine
CID 63385254
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384949
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethylsulfonylpiperazine
CID 113080128
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46624543

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole (CID 55184758) is 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole is Cc1nnc(Cl)n1-c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole?
The InChIKey is QJSKCZXOSYDVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N3/c1-5-16-17-9(12)18(5)8-3-2-6(11)4-7(8)10(13,14)15/h2-4H,1H3.
What are the key properties of 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole?
3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole 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 3-chloro-4-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazole is sourced from PubChem (CID 55184758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).