3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole

C16H13Cl2N3O — CID 16678386

IUPAC3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N3O/c1-22-14-8-3-2-5-11(14)9-21-10-19-20-16(21)12-6-4-7-13(17)15(12)18/h2-8,10H,9H2,1H3
InChIKeyWXZGZVKTKDRMPL-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.31
Rot. Bonds4

About 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole

3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole (PubChem CID 16678386) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
PubChem CID16678386
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole
SMILESCOc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N3O/c1-22-14-8-3-2-5-11(14)9-21-10-19-20-16(21)12-6-4-7-13(17)15(12)18/h2-8,10H,9H2,1H3
InChIKeyWXZGZVKTKDRMPL-UHFFFAOYSA-N
XLogP4.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole (CID 16678386) is 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole is COc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
The InChIKey is WXZGZVKTKDRMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-22-14-8-3-2-5-11(14)9-21-10-19-20-16(21)12-6-4-7-13(17)15(12)18/h2-8,10H,9H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole?
3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole has a molecular weight of 334.21 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 16678386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).