1-(3,5-dimethylphenyl)-4-phenyltriazole

C16H15N3 — CID 102261655

IUPAC1-(3,5-dimethylphenyl)-4-phenyltriazole
SMILESCc1cc(C)cc(-n2cc(-c3ccccc3)nn2)c1
InChIInChI=1S/C16H15N3/c1-12-8-13(2)10-15(9-12)19-11-16(17-18-19)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyKYHUPIIWDBUCRF-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.55
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-4-phenyltriazole

1-(3,5-dimethylphenyl)-4-phenyltriazole (PubChem CID 102261655) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-phenyltriazole
PubChem CID102261655
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name1-(3,5-dimethylphenyl)-4-phenyltriazole
SMILESCc1cc(C)cc(-n2cc(-c3ccccc3)nn2)c1
InChIInChI=1S/C16H15N3/c1-12-8-13(2)10-15(9-12)19-11-16(17-18-19)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyKYHUPIIWDBUCRF-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 1-(3,5-dimethylphenyl)-4-phenyltriazole?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-phenyltriazole (CID 102261655) is 1-(3,5-dimethylphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-phenyltriazole?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-phenyltriazole is Cc1cc(C)cc(-n2cc(-c3ccccc3)nn2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-phenyltriazole?
The InChIKey is KYHUPIIWDBUCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-8-13(2)10-15(9-12)19-11-16(17-18-19)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-phenyltriazole?
1-(3,5-dimethylphenyl)-4-phenyltriazole 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 1-(3,5-dimethylphenyl)-4-phenyltriazole is sourced from PubChem (CID 102261655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).