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

C24H24N4O — CID 11501879

IUPAC7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCCOc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1
InChIInChI=1S/C24H24N4O/c1-5-29-20-11-9-19(10-12-20)25-24-26-23-17(4)13-18(14-21(23)27-28-24)22-15(2)7-6-8-16(22)3/h6-14H,5H2,1-4H3,(H,25,26,28)
InChIKeyWFUMEUFMWNOAFD-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.76
Rot. Bonds5

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

7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 11501879) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID11501879
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCCOc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1
InChIInChI=1S/C24H24N4O/c1-5-29-20-11-9-19(10-12-20)25-24-26-23-17(4)13-18(14-21(23)27-28-24)22-15(2)7-6-8-16(22)3/h6-14H,5H2,1-4H3,(H,25,26,28)
InChIKeyWFUMEUFMWNOAFD-UHFFFAOYSA-N
XLogP5.76
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 11501879) is 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is CCOc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is WFUMEUFMWNOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-5-29-20-11-9-19(10-12-20)25-24-26-23-17(4)13-18(14-21(23)27-28-24)22-15(2)7-6-8-16(22)3/h6-14H,5H2,1-4H3,(H,25,26,28).
What are the key properties of 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 384.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 11501879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).