3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole

C15H11Cl2N3 — CID 63384515

IUPAC3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
SMILESCc1ccc(Cl)cc1-n1c(Cl)nnc1-c1ccccc1
InChIInChI=1S/C15H11Cl2N3/c1-10-7-8-12(16)9-13(10)20-14(18-19-15(20)17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyORMKBDIXBJZBCD-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.55
Rot. Bonds2

About 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole

3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole (PubChem CID 63384515) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
PubChem CID63384515
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
SMILESCc1ccc(Cl)cc1-n1c(Cl)nnc1-c1ccccc1
InChIInChI=1S/C15H11Cl2N3/c1-10-7-8-12(16)9-13(10)20-14(18-19-15(20)17)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyORMKBDIXBJZBCD-UHFFFAOYSA-N
XLogP4.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
CID 63385450
3-(5-chloro-2-methylphenyl)-2,6-diphenylpyrimidin-4-one
CID 13280782
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948
3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
CID 63384103
N-[2-(2,4-dichlorophenyl)ethyl]-2-[[4-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42734272
3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
CID 63384355
3-(5-chloro-2-methylphenyl)-2-methylpyrimidin-4-one
CID 13268369
1-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-5-phenylpyrrole-3-carboxylic acid
CID 67954678
3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
CID 63383941
4-[[5-(3-chlorophenyl)-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2110249
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole (CID 63384515) is 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole is Cc1ccc(Cl)cc1-n1c(Cl)nnc1-c1ccccc1.
What is the InChIKey of 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole?
The InChIKey is ORMKBDIXBJZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c1-10-7-8-12(16)9-13(10)20-14(18-19-15(20)17)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole?
3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole has a molecular weight of 304.18 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 63384515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).