7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine

C22H20N4 — CID 10382627

IUPAC7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C22H20N4/c1-14-8-7-9-15(2)20(14)17-12-16(3)21-19(13-17)25-26-22(24-21)23-18-10-5-4-6-11-18/h4-13H,1-3H3,(H,23,24,26)
InChIKeyPLXYCTXKBDOHAI-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.36
Rot. Bonds3

About 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine

7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (PubChem CID 10382627) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
PubChem CID10382627
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C22H20N4/c1-14-8-7-9-15(2)20(14)17-12-16(3)21-19(13-17)25-26-22(24-21)23-18-10-5-4-6-11-18/h4-13H,1-3H3,(H,23,24,26)
InChIKeyPLXYCTXKBDOHAI-UHFFFAOYSA-N
XLogP5.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (CID 10382627) is 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The InChIKey is PLXYCTXKBDOHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-14-8-7-9-15(2)20(14)17-12-16(3)21-19(13-17)25-26-22(24-21)23-18-10-5-4-6-11-18/h4-13H,1-3H3,(H,23,24,26).
What are the key properties of 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine has a molecular weight of 340.43 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 10382627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).