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

C16H15N3 — CID 71073412

IUPAC5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
SMILESCc1ccccc1-n1nc(-c2ccccc2)nc1C
InChIInChI=1S/C16H15N3/c1-12-8-6-7-11-15(12)19-13(2)17-16(18-19)14-9-4-3-5-10-14/h3-11H,1-2H3
InChIKeyATMYODHMHOSMIF-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds2

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

5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole (PubChem CID 71073412) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
PubChem CID71073412
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
SMILESCc1ccccc1-n1nc(-c2ccccc2)nc1C
InChIInChI=1S/C16H15N3/c1-12-8-6-7-11-15(12)19-13(2)17-16(18-19)14-9-4-3-5-10-14/h3-11H,1-2H3
InChIKeyATMYODHMHOSMIF-UHFFFAOYSA-N
XLogP3.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole (CID 71073412) is 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole is Cc1ccccc1-n1nc(-c2ccccc2)nc1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole?
The InChIKey is ATMYODHMHOSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-8-6-7-11-15(12)19-13(2)17-16(18-19)14-9-4-3-5-10-14/h3-11H,1-2H3.
What are the key properties of 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole?
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 71073412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).