3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole

C15H11Cl2N3O — CID 30032770

IUPAC3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-c1nc(Cl)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O/c1-21-13-5-3-2-4-12(13)14-18-15(17)19-20(14)11-8-6-10(16)7-9-11/h2-9H,1H3
InChIKeyXPAUCSZAJHADDC-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.25
Rot. Bonds3

About 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole

3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole (PubChem CID 30032770) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
PubChem CID30032770
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
SMILESCOc1ccccc1-c1nc(Cl)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H11Cl2N3O/c1-21-13-5-3-2-4-12(13)14-18-15(17)19-20(14)11-8-6-10(16)7-9-11/h2-9H,1H3
InChIKeyXPAUCSZAJHADDC-UHFFFAOYSA-N
XLogP4.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-5-(2-methoxyphenyl)-1,2,4-triazol-1-yl]pyrimidine
CID 30032947
3-chloro-5-(2-methylphenyl)-1-phenyl-1,2,4-triazole
CID 30032708
4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 40560058
4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 30032776
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134
1-(4-chlorophenyl)-3-(2-methoxyphenyl)pyrazol-4-amine
CID 83203098
2-[[5-(2-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 170715877
2-(4-chlorophenyl)-4-(2-methoxyphenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667335
4-butyl-1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazole
CID 135003778
3-chloro-5-methyl-1-phenyl-1,2,4-triazole
CID 30032671
3-[2-(4-chlorophenoxy)ethylsulfanyl]-4-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole
CID 4579115
5-chloro-2-(2-methoxyphenyl)-1-methylimidazole
CID 117259261

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole (CID 30032770) is 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole is COc1ccccc1-c1nc(Cl)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole?
The InChIKey is XPAUCSZAJHADDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-21-13-5-3-2-4-12(13)14-18-15(17)19-20(14)11-8-6-10(16)7-9-11/h2-9H,1H3.
What are the key properties of 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole?
3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole has a molecular weight of 320.18 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 30032770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).