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

C23H22N4 — CID 11646082

IUPAC7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1
InChIInChI=1S/C23H22N4/c1-14-7-5-10-19(11-14)24-23-25-22-17(4)12-18(13-20(22)26-27-23)21-15(2)8-6-9-16(21)3/h5-13H,1-4H3,(H,24,25,27)
InChIKeyBCFAJUIGPMLBBZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.67
Rot. Bonds3

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

7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine (PubChem CID 11646082) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine
PubChem CID11646082
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1
InChIInChI=1S/C23H22N4/c1-14-7-5-10-19(11-14)24-23-25-22-17(4)12-18(13-20(22)26-27-23)21-15(2)8-6-9-16(21)3/h5-13H,1-4H3,(H,24,25,27)
InChIKeyBCFAJUIGPMLBBZ-UHFFFAOYSA-N
XLogP5.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-7-methyl-1,2,4-benzotriazine
CID 318595
7-(Naphthalen-2-yl)benzo[e][1,2,4]triazin-3-amine
CID 44419363
(6-Methyl-4-phenyl-quinazolin-2-yl)-m-tolyl-amine
CID 767352
7-(2,6-dimethylphenyl)-5-methyl-N-phenylbenzo[e][1,2,4]triazin-3-amine
CID 10382627
7-(2,6-dimethylphenyl)-N-phenylbenzo[e][1,2,4]triazin-3-amine
CID 10404115
7-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amine
CID 11581460
7-(2,6-dimethylphenyl)-5-methyl-N-(pyridin-4-yl)benzo[e][1,2,4]triazin-3-amine
CID 11588163
N-(3-chlorophenyl)-7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]triazin-3-amine
CID 11595922
3-(7-(2,6-Dimethylphenyl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)benzenesulfonamide
CID 11676103
4-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide
CID 16040366
7-(2,6-dimethylphenyl)-5,6-dimethyl-N-phenylbenzo[e][1,2,4]triazin-3-amine
CID 44419368
7-(2,6-dimethylphenyl)-5-methyl-N-(3-(piperazin-1-ylsulfonyl)phenyl)benzo[e][1,2,4]triazin-3-amine
CID 44419397

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine (CID 11646082) is 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine is Cc1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?
The InChIKey is BCFAJUIGPMLBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-14-7-5-10-19(11-14)24-23-25-22-17(4)12-18(13-20(22)26-27-23)21-15(2)8-6-9-16(21)3/h5-13H,1-4H3,(H,24,25,27).
What are the key properties of 7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine has a molecular weight of 354.46 g/mol, XLogP of 5.67, 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-(3-methylphenyl)-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 11646082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).