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

C21H17FN4O — CID 18455758

IUPAC7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C21H17FN4O/c1-13-11-14(19-16(22)9-6-10-18(19)27-2)12-17-20(13)24-21(26-25-17)23-15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,24,26)
InChIKeyAAZFQOKHSPCTNE-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.89
Rot. Bonds4

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

7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (PubChem CID 18455758) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
PubChem CID18455758
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1
InChIInChI=1S/C21H17FN4O/c1-13-11-14(19-16(22)9-6-10-18(19)27-2)12-17-20(13)24-21(26-25-17)23-15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,24,26)
InChIKeyAAZFQOKHSPCTNE-UHFFFAOYSA-N
XLogP4.89
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine (CID 18455758) is 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is COc1cccc(F)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1.
What is the InChIKey of 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
The InChIKey is AAZFQOKHSPCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-13-11-14(19-16(22)9-6-10-18(19)27-2)12-17-20(13)24-21(26-25-17)23-15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine?
7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine has a molecular weight of 360.39 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-6-methoxyphenyl)-5-methyl-N-phenyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 18455758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).