3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole

C17H15Cl2N3 — CID 16678389

IUPAC3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole
SMILESCC(C)(c1ccccc1)n1cnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N3/c1-17(2,12-7-4-3-5-8-12)22-11-20-21-16(22)13-9-6-10-14(18)15(13)19/h3-11H,1-2H3
InChIKeyMEGFRYXTTWRDSY-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.04
Rot. Bonds3

About 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole

3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole (PubChem CID 16678389) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole
PubChem CID16678389
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole
SMILESCC(C)(c1ccccc1)n1cnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2N3/c1-17(2,12-7-4-3-5-8-12)22-11-20-21-16(22)13-9-6-10-14(18)15(13)19/h3-11H,1-2H3
InChIKeyMEGFRYXTTWRDSY-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9998483
3-(1-(4-chlorophenyl)cyclobutyl)-5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazole
CID 20724901
3-(3-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 20724912
3-(3-Chloro-biphenyl-4-yl)-5-[1-(4-chloro-phenyl)-cyclobutyl]-4-methyl-4H-[1,2,4]triazole
CID 24857855
3-(4-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9975639
1-Benzyl-5-(2,3-dichlorophenyl)tetrazole
CID 11515022
3-(2-Chlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11522916
3-(2-Chloro-4-fluorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11544921
3-(2-Chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11587817
5-(2,3-Dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole
CID 11652648
3,5-Bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11659479
3-(2,3-Dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
CID 16678288

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole (CID 16678389) is 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole is CC(C)(c1ccccc1)n1cnnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole?
The InChIKey is MEGFRYXTTWRDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c1-17(2,12-7-4-3-5-8-12)22-11-20-21-16(22)13-9-6-10-14(18)15(13)19/h3-11H,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole?
3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole has a molecular weight of 332.23 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-4-(2-phenylpropan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 16678389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).