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

C16H13Cl2N3 — CID 16678387

IUPAC3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole
SMILESCc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3
InChIKeySVYVANGGEXSFSF-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.61
Rot. Bonds3

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

3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole (PubChem CID 16678387) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole
PubChem CID16678387
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole
SMILESCc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3
InChIKeySVYVANGGEXSFSF-UHFFFAOYSA-N
XLogP4.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole (CID 16678387) is 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole is Cc1ccccc1Cn1cnnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole?
The InChIKey is SVYVANGGEXSFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole?
3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole has a molecular weight of 318.21 g/mol, XLogP of 4.61, 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-methylphenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 16678387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).