4,5-bis(4-methylphenyl)-2-phenyltriazole

C22H19N3 — CID 12519717

IUPAC4,5-bis(4-methylphenyl)-2-phenyltriazole
SMILESCc1ccc(-c2nn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3/c1-16-8-12-18(13-9-16)21-22(19-14-10-17(2)11-15-19)24-25(23-21)20-6-4-3-5-7-20/h3-15H,1-2H3
InChIKeyINWRNQZXTBBRIT-UHFFFAOYSA-N
MW325.42 g/mol
LogP5.22
Rot. Bonds3

About 4,5-bis(4-methylphenyl)-2-phenyltriazole

4,5-bis(4-methylphenyl)-2-phenyltriazole (PubChem CID 12519717) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)-2-phenyltriazole.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)-2-phenyltriazole
PubChem CID12519717
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4,5-bis(4-methylphenyl)-2-phenyltriazole
SMILESCc1ccc(-c2nn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C22H19N3/c1-16-8-12-18(13-9-16)21-22(19-14-10-17(2)11-15-19)24-25(23-21)20-6-4-3-5-7-20/h3-15H,1-2H3
InChIKeyINWRNQZXTBBRIT-UHFFFAOYSA-N
XLogP5.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Diphenyl-1,2,3-triazole
CID 613500
2H-1,2,3-Triazole, 2,4-diphenyl-
CID 11074947
Pyridazine, 3,6-bis(4-methylphenyl)-
CID 12230350
2-(Benzotriazol-2-yl)-3-(4-methylphenyl)-acrylonitrile
CID 6474534
(E)-2-(benzotriazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile
CID 56671945
4-Phenyl-2-(2-phenylphenyl)triazole
CID 122188129
3-(4-Butylphenyl)-6-[4-(4-butylphenyl)phenyl]-4-(trifluoromethyl)pyridazine
CID 16093020
4-Methyl-3,6-diphenylpyridazine
CID 6401437
1,4,5-Triphenyl-1H-1,2,3-triazole
CID 277973
2,4,5-Triphenyl-1,2,3-triazol
CID 561195
2-Methyl-4,5-diphenyltriazole
CID 12207436
3-Phenyl-6-p-tolyl-pyridazine
CID 6408779

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methylphenyl)-2-phenyltriazole?
The IUPAC name of 4,5-bis(4-methylphenyl)-2-phenyltriazole (CID 12519717) is 4,5-bis(4-methylphenyl)-2-phenyltriazole.
What is the SMILES notation for 4,5-bis(4-methylphenyl)-2-phenyltriazole?
The canonical SMILES for 4,5-bis(4-methylphenyl)-2-phenyltriazole is Cc1ccc(-c2nn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)-2-phenyltriazole?
The InChIKey is INWRNQZXTBBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-8-12-18(13-9-16)21-22(19-14-10-17(2)11-15-19)24-25(23-21)20-6-4-3-5-7-20/h3-15H,1-2H3.
What are the key properties of 4,5-bis(4-methylphenyl)-2-phenyltriazole?
4,5-bis(4-methylphenyl)-2-phenyltriazole has a molecular weight of 325.42 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methylphenyl)-2-phenyltriazole is sourced from PubChem (CID 12519717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).