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

C16H16N4 — CID 24822756

IUPAC7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1cc(C)c2nc(N)nnc2c1
InChIInChI=1S/C16H16N4/c1-9-5-4-6-10(2)14(9)12-7-11(3)15-13(8-12)19-20-16(17)18-15/h4-8H,1-3H3,(H2,17,18,20)
InChIKeyINDZZBNLRBLVPY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.20
Rot. Bonds1

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

7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 24822756) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID24822756
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1cc(C)c2nc(N)nnc2c1
InChIInChI=1S/C16H16N4/c1-9-5-4-6-10(2)14(9)12-7-11(3)15-13(8-12)19-20-16(17)18-15/h4-8H,1-3H3,(H2,17,18,20)
InChIKeyINDZZBNLRBLVPY-UHFFFAOYSA-N
XLogP3.20
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.20
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
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
7-(2,6-dimethylphenyl)-5-methyl-N-m-tolylbenzo[e][1,2,4]triazin-3-amine
CID 11646082
3-(7-(2,6-Dimethylphenyl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)benzenesulfonamide
CID 11676103
7-(2,6-dimethylphenyl)-5,6-dimethyl-N-phenylbenzo[e][1,2,4]triazin-3-amine
CID 44419368
N1-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]triazin-3-yl)-N4,N4-dimethylbenzene-1,4-diamine
CID 44419454
6-(3,5-Dimethylphenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53353232

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 24822756) is 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is Cc1cccc(C)c1-c1cc(C)c2nc(N)nnc2c1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is INDZZBNLRBLVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-9-5-4-6-10(2)14(9)12-7-11(3)15-13(8-12)19-20-16(17)18-15/h4-8H,1-3H3,(H2,17,18,20).
What are the key properties of 7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 264.33 g/mol, XLogP of 3.20, 1 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-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 24822756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).