5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole

C16H16N6 — CID 158057233

IUPAC5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole
SMILESCc1ccc2n[nH]nc2c1.Cc1ccccc1-c1cn[nH]n1
InChIInChI=1S/C9H9N3.C7H7N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9;1-5-2-3-6-7(4-5)9-10-8-6/h2-6H,1H3,(H,10,11,12);2-4H,1H3,(H,8,9,10)
InChIKeyFKEZPMWOUNIATB-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.05
Rot. Bonds1

About 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole

5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole (PubChem CID 158057233) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole.

Molecular Properties

Compound Name5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole
PubChem CID158057233
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole
SMILESCc1ccc2n[nH]nc2c1.Cc1ccccc1-c1cn[nH]n1
InChIInChI=1S/C9H9N3.C7H7N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9;1-5-2-3-6-7(4-5)9-10-8-6/h2-6H,1H3,(H,10,11,12);2-4H,1H3,(H,8,9,10)
InChIKeyFKEZPMWOUNIATB-UHFFFAOYSA-N
XLogP3.05
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole?
The IUPAC name of 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole (CID 158057233) is 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole.
What is the SMILES notation for 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole?
The canonical SMILES for 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole is Cc1ccc2n[nH]nc2c1.Cc1ccccc1-c1cn[nH]n1.
What is the InChIKey of 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole?
The InChIKey is FKEZPMWOUNIATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.C7H7N3/c1-7-4-2-3-5-8(7)9-6-10-12-11-9;1-5-2-3-6-7(4-5)9-10-8-6/h2-6H,1H3,(H,10,11,12);2-4H,1H3,(H,8,9,10).
What are the key properties of 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole?
5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole has a molecular weight of 292.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-benzotriazole;4-(2-methylphenyl)-2H-triazole is sourced from PubChem (CID 158057233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).