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

C21H19N5 — CID 11588163

IUPAC7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1cc(C)c2nc(Nc3ccncc3)nnc2c1
InChIInChI=1S/C21H19N5/c1-13-5-4-6-14(2)19(13)16-11-15(3)20-18(12-16)25-26-21(24-20)23-17-7-9-22-10-8-17/h4-12H,1-3H3,(H,22,23,24,26)
InChIKeyZJQVYURHZFRKLA-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.76
Rot. Bonds3

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

7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine (PubChem CID 11588163) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine
PubChem CID11588163
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine
SMILESCc1cccc(C)c1-c1cc(C)c2nc(Nc3ccncc3)nnc2c1
InChIInChI=1S/C21H19N5/c1-13-5-4-6-14(2)19(13)16-11-15(3)20-18(12-16)25-26-21(24-20)23-17-7-9-22-10-8-17/h4-12H,1-3H3,(H,22,23,24,26)
InChIKeyZJQVYURHZFRKLA-UHFFFAOYSA-N
XLogP4.76
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.76
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)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine (CID 11588163) is 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine is Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccncc3)nnc2c1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
The InChIKey is ZJQVYURHZFRKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-13-5-4-6-14(2)19(13)16-11-15(3)20-18(12-16)25-26-21(24-20)23-17-7-9-22-10-8-17/h4-12H,1-3H3,(H,22,23,24,26).
What are the key properties of 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine has a molecular weight of 341.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 11588163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).