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

C21H18N4 — CID 10404115

IUPAC7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1ccc2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C21H18N4/c1-14-7-6-8-15(2)20(14)16-11-12-18-19(13-16)24-25-21(23-18)22-17-9-4-3-5-10-17/h3-13H,1-2H3,(H,22,23,25)
InChIKeyOYVBTDSVIPSNGN-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.05
Rot. Bonds3

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

7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine (PubChem CID 10404115) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine
PubChem CID10404115
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1ccc2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C21H18N4/c1-14-7-6-8-15(2)20(14)16-11-12-18-19(13-16)24-25-21(23-18)22-17-9-4-3-5-10-17/h3-13H,1-2H3,(H,22,23,25)
InChIKeyOYVBTDSVIPSNGN-UHFFFAOYSA-N
XLogP5.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.05
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-(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
7-(2,6-dimethylphenyl)-5-methyl-N-(3-(piperazin-1-ylsulfonyl)phenyl)benzo[e][1,2,4]triazin-3-amine
CID 44419397
7-(2,6-dimethylphenyl)-5-methyl-N-(4-(piperazin-1-ylsulfonyl)phenyl)benzo[e][1,2,4]triazin-3-amine
CID 44419398
7-(2,6-dimethylphenyl)-5-methyl-N-(3-(4-methylpiperazin-1-ylsulfonyl)phenyl)benzo[e][1,2,4]triazin-3-amine
CID 44419442

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine (CID 10404115) is 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine is Cc1cccc(C)c1-c1ccc2nc(Nc3ccccc3)nnc2c1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine?
The InChIKey is OYVBTDSVIPSNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-14-7-6-8-15(2)20(14)16-11-12-18-19(13-16)24-25-21(23-18)22-17-9-4-3-5-10-17/h3-13H,1-2H3,(H,22,23,25).
What are the key properties of 7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-N-phenyl-1,2,4-benzotriazin-3-amine has a molecular weight of 326.40 g/mol, XLogP of 5.05, 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-phenyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 10404115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).