5-methyl-1,4-diphenyltriazole

C15H13N3 — CID 12663248

IUPAC5-methyl-1,4-diphenyltriazole
SMILESCc1c(-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-12-15(13-8-4-2-5-9-13)16-17-18(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyIFYXHHXAPYIBEC-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.24
Rot. Bonds2

About 5-methyl-1,4-diphenyltriazole

5-methyl-1,4-diphenyltriazole (PubChem CID 12663248) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-methyl-1,4-diphenyltriazole.

Molecular Properties

Compound Name5-methyl-1,4-diphenyltriazole
PubChem CID12663248
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name5-methyl-1,4-diphenyltriazole
SMILESCc1c(-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-12-15(13-8-4-2-5-9-13)16-17-18(12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyIFYXHHXAPYIBEC-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4-diphenyltriazole?
The IUPAC name of 5-methyl-1,4-diphenyltriazole (CID 12663248) is 5-methyl-1,4-diphenyltriazole.
What is the SMILES notation for 5-methyl-1,4-diphenyltriazole?
The canonical SMILES for 5-methyl-1,4-diphenyltriazole is Cc1c(-c2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,4-diphenyltriazole?
The InChIKey is IFYXHHXAPYIBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-12-15(13-8-4-2-5-9-13)16-17-18(12)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 5-methyl-1,4-diphenyltriazole?
5-methyl-1,4-diphenyltriazole has a molecular weight of 235.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-diphenyltriazole is sourced from PubChem (CID 12663248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).