1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole

C18H19N3 — CID 139251579

IUPAC1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole
SMILESCc1ccc(-n2nncc2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H19N3/c1-12-5-7-16(8-6-12)21-17(11-19-20-21)18-14(3)9-13(2)10-15(18)4/h5-11H,1-4H3
InChIKeyQKVHLYUFZZNUAC-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.17
Rot. Bonds2

About 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole

1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole (PubChem CID 139251579) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole
PubChem CID139251579
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole
SMILESCc1ccc(-n2nncc2-c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H19N3/c1-12-5-7-16(8-6-12)21-17(11-19-20-21)18-14(3)9-13(2)10-15(18)4/h5-11H,1-4H3
InChIKeyQKVHLYUFZZNUAC-UHFFFAOYSA-N
XLogP4.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(4-methylphenyl)triazole
CID 115042438
1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine
CID 134840383
4-[5-(3,4-dichlorophenyl)triazol-1-yl]aniline
CID 82222250
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652236
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
[3-methyl-4-(3-phenyltriazol-4-yl)phenyl]methanamine
CID 114689803
N-methyl-6-(3-phenyltriazol-4-yl)pyrimidin-4-amine
CID 114691010
N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652280
2,4-dimethyl-5-[1-(4-methylphenyl)tetrazol-5-yl]aniline
CID 102706325
1-(2-iodophenyl)-5-(4-methylphenyl)triazole
CID 146163953
4-(3-phenyltriazol-4-yl)aniline
CID 53485501

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole?
The IUPAC name of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole (CID 139251579) is 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole.
What is the SMILES notation for 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole?
The canonical SMILES for 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole is Cc1ccc(-n2nncc2-c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole?
The InChIKey is QKVHLYUFZZNUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-5-7-16(8-6-12)21-17(11-19-20-21)18-14(3)9-13(2)10-15(18)4/h5-11H,1-4H3.
What are the key properties of 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole?
1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole has a molecular weight of 277.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)triazole is sourced from PubChem (CID 139251579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).