7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine

C22H20N4O2 — CID 18455755

IUPAC7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(OC)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C22H20N4O2/c1-14-12-15(20-18(27-2)10-7-11-19(20)28-3)13-17-21(14)24-22(26-25-17)23-16-8-5-4-6-9-16/h4-13H,1-3H3,(H,23,24,26)
InChIKeyMKOLXWVBZSYQAX-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.76
Rot. Bonds5

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

7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (PubChem CID 18455755) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
PubChem CID18455755
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(OC)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C22H20N4O2/c1-14-12-15(20-18(27-2)10-7-11-19(20)28-3)13-17-21(14)24-22(26-25-17)23-16-8-5-4-6-9-16/h4-13H,1-3H3,(H,23,24,26)
InChIKeyMKOLXWVBZSYQAX-UHFFFAOYSA-N
XLogP4.76
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
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-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (CID 18455755) is 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is COc1cccc(OC)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1.
What is the InChIKey of 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The InChIKey is MKOLXWVBZSYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-12-15(20-18(27-2)10-7-11-19(20)28-3)13-17-21(14)24-22(26-25-17)23-16-8-5-4-6-9-16/h4-13H,1-3H3,(H,23,24,26).
What are the key properties of 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine has a molecular weight of 372.43 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 18455755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).