3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole

C11H10Cl3N3 — CID 65499865

IUPAC3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl3N3/c1-6(2)10-15-16-11(14)17(10)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3
InChIKeyDAKHUXWLBBYMBS-UHFFFAOYSA-N
MW290.58 g/mol
LogP4.35
Rot. Bonds2

About 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole

3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole (PubChem CID 65499865) has the molecular formula C11H10Cl3N3 and a molecular weight of 290.58 g/mol. Its IUPAC name is 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
PubChem CID65499865
Molecular FormulaC11H10Cl3N3
Molecular Weight290.58 g/mol
Exact Mass288.99
IUPAC Name3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(Cl)n1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl3N3/c1-6(2)10-15-16-11(14)17(10)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3
InChIKeyDAKHUXWLBBYMBS-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,4-Dichlorophenyl)-3-methylsulfanyl-5-propyl-1,2,4-triazole
CID 155461379
4-(2,4-Dichlorophenyl)-3-(3-methoxypropyl)-5-methylsulfanyl-1,2,4-triazole
CID 155461380
3-chloro-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 19014022
1-(2-chlorophenyl)-3-cyclopropyl-5-(methoxymethyl)-1H-1,2,4-triazole
CID 50972287
1-(2,6-dichlorophenyl)-5-(propan-2-yl)-1H-1,2,4-triazole-3-carboxylic acid
CID 43652655
3-chloro-5-ethyl-4-phenyl-4H-1,2,4-triazole
CID 63384639
3-Cyclopropyl-5-Methyl-4-Phenyl-1,2,4-Triazole
CID 122164614
4-(3-Chlorophenyl)-3-cyclopropyl-5-methylsulfanyl-1,2,4-triazole
CID 2730258
3-[1-(3-chlorophenyl)-3-isopropyl-1H-1,2,4-triazol-5-yl]-N,N-dimethylpropan-1-amine
CID 50983383
(2S)-2-[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 125515681
5-(N,N-diethylamino)-3-(pentafluoroethyl)-1-(2,4,6-trichlorophenyl)-1H-1,2,4-triazole
CID 14624371
N,N-diethyl-2-(2,4,6-trichlorophenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 14858014

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole (CID 65499865) is 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(Cl)n1-c1c(Cl)cccc1Cl.
What is the InChIKey of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
The InChIKey is DAKHUXWLBBYMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3N3/c1-6(2)10-15-16-11(14)17(10)9-7(12)4-3-5-8(9)13/h3-6H,1-2H3.
What are the key properties of 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole?
3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole has a molecular weight of 290.58 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 65499865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).