4-methyl-1-(4-methylphenyl)triazole

C10H11N3 — CID 89032193

IUPAC4-methyl-1-(4-methylphenyl)triazole
SMILESCc1ccc(-n2cc(C)nn2)cc1
InChIInChI=1S/C10H11N3/c1-8-3-5-10(6-4-8)13-7-9(2)11-12-13/h3-7H,1-2H3
InChIKeyXMYJMJMZZBJFND-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.88
Rot. Bonds1

About 4-methyl-1-(4-methylphenyl)triazole

4-methyl-1-(4-methylphenyl)triazole (PubChem CID 89032193) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)triazole.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)triazole
PubChem CID89032193
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-methyl-1-(4-methylphenyl)triazole
SMILESCc1ccc(-n2cc(C)nn2)cc1
InChIInChI=1S/C10H11N3/c1-8-3-5-10(6-4-8)13-7-9(2)11-12-13/h3-7H,1-2H3
InChIKeyXMYJMJMZZBJFND-UHFFFAOYSA-N
XLogP1.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)triazole?
The IUPAC name of 4-methyl-1-(4-methylphenyl)triazole (CID 89032193) is 4-methyl-1-(4-methylphenyl)triazole.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)triazole?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)triazole is Cc1ccc(-n2cc(C)nn2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)triazole?
The InChIKey is XMYJMJMZZBJFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-3-5-10(6-4-8)13-7-9(2)11-12-13/h3-7H,1-2H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)triazole?
4-methyl-1-(4-methylphenyl)triazole has a molecular weight of 173.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)triazole is sourced from PubChem (CID 89032193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).