2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

C139H145Cl4F3N42O6 — CID 161235061

IUPAC2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
SMILESCOc1cc(C)c(-n2nccn2)cc1C.COc1cc(C)c(-n2nccn2)cc1Cl.COc1cc(C)c(-n2nccn2)cc1OC.COc1ccc(-n2nccn2)c(C)c1.COc1ccc(-n2nccn2)c(C)c1F.Cc1cc(-n2nccn2)c(C)cc1Cl.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(C)c(-n2nccn2)c1.Cc1ccc(Cl)cc1-n1nccn1.Cc1ccccc1-n1nccn1
InChIInChI=1S/C11H13N3O2.C11H13N3O.C11H13N3.C10H10ClN3O.C10H10ClN3.C10H10FN3O.C10H10FN3.C10H11N3O.2C10H11N3.2C9H8ClN3.C9H8FN3.C9H9N3/c1-8-6-10(15-2)11(16-3)7-9(8)14-12-4-5-13-14;1-8-7-11(15-3)9(2)6-10(8)14-12-4-5-13-14;1-8-6-10(3)11(7-9(8)2)14-12-4-5-13-14;1-7-5-10(15-2)8(11)6-9(7)14-12-3-4-13-14;1-7-6-10(8(2)5-9(7)11)14-12-3-4-13-14;1-7-8(14-12-5-6-13-14)3-4-9(15-2)10(7)11;1-7-3-4-9(8(2)10(7)11)14-12-5-6-13-14;1-8-7-9(14-2)3-4-10(8)13-11-5-6-12-13;1-8-3-4-10(9(2)7-8)13-11-5-6-12-13;1-8-3-4-9(2)10(7-8)13-11-5-6-12-13;1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-7-2-3-8(10)6-9(7)13-11-4-5-12-13;1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12/h4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*2-6H,1H3;2-7H,1H3
InChIKeyUZGHGMLOMUWBQR-UHFFFAOYSA-N
MW2698.78 g/mol
LogP27.30
Rot. Bonds20

About 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole

2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (PubChem CID 161235061) has the molecular formula C139H145Cl4F3N42O6 and a molecular weight of 2698.78 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
PubChem CID161235061
Molecular FormulaC139H145Cl4F3N42O6
Molecular Weight2698.78 g/mol
Exact Mass2695.10
IUPAC Name2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole
SMILESCOc1cc(C)c(-n2nccn2)cc1C.COc1cc(C)c(-n2nccn2)cc1Cl.COc1cc(C)c(-n2nccn2)cc1OC.COc1ccc(-n2nccn2)c(C)c1.COc1ccc(-n2nccn2)c(C)c1F.Cc1cc(-n2nccn2)c(C)cc1Cl.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(C)c(-n2nccn2)c1.Cc1ccc(Cl)cc1-n1nccn1.Cc1ccccc1-n1nccn1
InChIInChI=1S/C11H13N3O2.C11H13N3O.C11H13N3.C10H10ClN3O.C10H10ClN3.C10H10FN3O.C10H10FN3.C10H11N3O.2C10H11N3.2C9H8ClN3.C9H8FN3.C9H9N3/c1-8-6-10(15-2)11(16-3)7-9(8)14-12-4-5-13-14;1-8-7-11(15-3)9(2)6-10(8)14-12-4-5-13-14;1-8-6-10(3)11(7-9(8)2)14-12-4-5-13-14;1-7-5-10(15-2)8(11)6-9(7)14-12-3-4-13-14;1-7-6-10(8(2)5-9(7)11)14-12-3-4-13-14;1-7-8(14-12-5-6-13-14)3-4-9(15-2)10(7)11;1-7-3-4-9(8(2)10(7)11)14-12-5-6-13-14;1-8-7-9(14-2)3-4-10(8)13-11-5-6-12-13;1-8-3-4-10(9(2)7-8)13-11-5-6-12-13;1-8-3-4-9(2)10(7-8)13-11-5-6-12-13;1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-7-2-3-8(10)6-9(7)13-11-4-5-12-13;1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12/h4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*2-6H,1H3;2-7H,1H3
InChIKeyUZGHGMLOMUWBQR-UHFFFAOYSA-N
XLogP27.30
TPSA485.32 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds20
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002698.78
LogP ≤ 527.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?
The IUPAC name of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole (CID 161235061) is 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole.
What is the SMILES notation for 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?
The canonical SMILES for 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole is COc1cc(C)c(-n2nccn2)cc1C.COc1cc(C)c(-n2nccn2)cc1Cl.COc1cc(C)c(-n2nccn2)cc1OC.COc1ccc(-n2nccn2)c(C)c1.COc1ccc(-n2nccn2)c(C)c1F.Cc1cc(-n2nccn2)c(C)cc1Cl.Cc1cc(C)c(-n2nccn2)cc1C.Cc1cc(Cl)ccc1-n1nccn1.Cc1cc(F)ccc1-n1nccn1.Cc1ccc(-n2nccn2)c(C)c1.Cc1ccc(-n2nccn2)c(C)c1F.Cc1ccc(C)c(-n2nccn2)c1.Cc1ccc(Cl)cc1-n1nccn1.Cc1ccccc1-n1nccn1.
What is the InChIKey of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?
The InChIKey is UZGHGMLOMUWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.C11H13N3O.C11H13N3.C10H10ClN3O.C10H10ClN3.C10H10FN3O.C10H10FN3.C10H11N3O.2C10H11N3.2C9H8ClN3.C9H8FN3.C9H9N3/c1-8-6-10(15-2)11(16-3)7-9(8)14-12-4-5-13-14;1-8-7-11(15-3)9(2)6-10(8)14-12-4-5-13-14;1-8-6-10(3)11(7-9(8)2)14-12-4-5-13-14;1-7-5-10(15-2)8(11)6-9(7)14-12-3-4-13-14;1-7-6-10(8(2)5-9(7)11)14-12-3-4-13-14;1-7-8(14-12-5-6-13-14)3-4-9(15-2)10(7)11;1-7-3-4-9(8(2)10(7)11)14-12-5-6-13-14;1-8-7-9(14-2)3-4-10(8)13-11-5-6-12-13;1-8-3-4-10(9(2)7-8)13-11-5-6-12-13;1-8-3-4-9(2)10(7-8)13-11-5-6-12-13;1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-7-2-3-8(10)6-9(7)13-11-4-5-12-13;1-7-6-8(10)2-3-9(7)13-11-4-5-12-13;1-8-4-2-3-5-9(8)12-10-6-7-11-12/h4-7H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3;3*2-6H,1H3;2-7H,1H3.
What are the key properties of 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole?
2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole has a molecular weight of 2698.78 g/mol, XLogP of 27.30, 20 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethylphenyl)triazole;2-(5-chloro-4-methoxy-2-methylphenyl)triazole;2-(4-chloro-2-methylphenyl)triazole;2-(5-chloro-2-methylphenyl)triazole;2-(4,5-dimethoxy-2-methylphenyl)triazole;2-(2,4-dimethylphenyl)triazole;2-(2,5-dimethylphenyl)triazole;2-(3-fluoro-2,4-dimethylphenyl)triazole;2-(3-fluoro-4-methoxy-2-methylphenyl)triazole;2-(4-fluoro-2-methylphenyl)triazole;2-(4-methoxy-2,5-dimethylphenyl)triazole;2-(4-methoxy-2-methylphenyl)triazole;2-(2-methylphenyl)triazole;2-(2,4,5-trimethylphenyl)triazole is sourced from PubChem (CID 161235061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).