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

C23H22N4O — CID 11646397

IUPAC7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1
InChIInChI=1S/C23H22N4O/c1-14-7-5-8-15(2)21(14)17-11-16(3)22-20(12-17)26-27-23(25-22)24-18-9-6-10-19(13-18)28-4/h5-13H,1-4H3,(H,24,25,27)
InChIKeyXARNNPFETIANRB-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.37
Rot. Bonds4

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

7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 11646397) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID11646397
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1
InChIInChI=1S/C23H22N4O/c1-14-7-5-8-15(2)21(14)17-11-16(3)22-20(12-17)26-27-23(25-22)24-18-9-6-10-19(13-18)28-4/h5-13H,1-4H3,(H,24,25,27)
InChIKeyXARNNPFETIANRB-UHFFFAOYSA-N
XLogP5.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.37
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-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 11646397) is 7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is COc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is XARNNPFETIANRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-14-7-5-8-15(2)21(14)17-11-16(3)22-20(12-17)26-27-23(25-22)24-18-9-6-10-19(13-18)28-4/h5-13H,1-4H3,(H,24,25,27).
What are the key properties of 7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 370.46 g/mol, XLogP of 5.37, 4 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-(3-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 11646397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).