3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole

C16H16ClN3 — CID 142678386

IUPAC3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole
SMILESCc1ccccc1N1CNN=C1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3/c1-12-6-2-5-9-15(12)20-11-18-19-16(20)10-13-7-3-4-8-14(13)17/h2-9,18H,10-11H2,1H3
InChIKeyATAZXAUNZDXKML-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.57
Rot. Bonds3

About 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole

3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole (PubChem CID 142678386) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole
PubChem CID142678386
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole
SMILESCc1ccccc1N1CNN=C1Cc1ccccc1Cl
InChIInChI=1S/C16H16ClN3/c1-12-6-2-5-9-15(12)20-11-18-19-16(20)10-13-7-3-4-8-14(13)17/h2-9,18H,10-11H2,1H3
InChIKeyATAZXAUNZDXKML-UHFFFAOYSA-N
XLogP3.57
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole (CID 142678386) is 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole is Cc1ccccc1N1CNN=C1Cc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole?
The InChIKey is ATAZXAUNZDXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-12-6-2-5-9-15(12)20-11-18-19-16(20)10-13-7-3-4-8-14(13)17/h2-9,18H,10-11H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole?
3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole has a molecular weight of 285.78 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-4-(2-methylphenyl)-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 142678386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).