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

C24H24N4 — CID 11581460

IUPAC7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1C
InChIInChI=1S/C24H24N4/c1-14-9-10-20(12-17(14)4)25-24-26-23-18(5)11-19(13-21(23)27-28-24)22-15(2)7-6-8-16(22)3/h6-13H,1-5H3,(H,25,26,28)
InChIKeyLVBDUBCUFKWBEQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.98
Rot. Bonds3

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

7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 11581460) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID11581460
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1C
InChIInChI=1S/C24H24N4/c1-14-9-10-20(12-17(14)4)25-24-26-23-18(5)11-19(13-21(23)27-28-24)22-15(2)7-6-8-16(22)3/h6-13H,1-5H3,(H,25,26,28)
InChIKeyLVBDUBCUFKWBEQ-UHFFFAOYSA-N
XLogP5.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.98
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)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 11581460) is 7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is Cc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1C.
What is the InChIKey of 7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is LVBDUBCUFKWBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-14-9-10-20(12-17(14)4)25-24-26-23-18(5)11-19(13-21(23)27-28-24)22-15(2)7-6-8-16(22)3/h6-13H,1-5H3,(H,25,26,28).
What are the key properties of 7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 368.48 g/mol, XLogP of 5.98, 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)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 11581460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).