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

C22H21N5O — CID 59837589

IUPAC7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCOc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cn1
InChIInChI=1S/C22H21N5O/c1-13-6-5-7-14(2)20(13)16-10-15(3)21-18(11-16)26-27-22(25-21)24-17-8-9-19(28-4)23-12-17/h5-12H,1-4H3,(H,24,25,27)
InChIKeyOSEIUQRJBFSSJX-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.76
Rot. Bonds4

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

7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 59837589) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID59837589
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCOc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cn1
InChIInChI=1S/C22H21N5O/c1-13-6-5-7-14(2)20(13)16-10-15(3)21-18(11-16)26-27-22(25-21)24-17-8-9-19(28-4)23-12-17/h5-12H,1-4H3,(H,24,25,27)
InChIKeyOSEIUQRJBFSSJX-UHFFFAOYSA-N
XLogP4.76
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 59837589) is 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine is COc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cn1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is OSEIUQRJBFSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-13-6-5-7-14(2)20(13)16-10-15(3)21-18(11-16)26-27-22(25-21)24-17-8-9-19(28-4)23-12-17/h5-12H,1-4H3,(H,24,25,27).
What are the key properties of 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 371.44 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 59837589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).