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

C15H13FN4O — CID 59837689

IUPAC7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(C)c2nc(N)nnc2c1
InChIInChI=1S/C15H13FN4O/c1-8-6-9(7-11-14(8)18-15(17)20-19-11)13-10(16)4-3-5-12(13)21-2/h3-7H,1-2H3,(H2,17,18,20)
InChIKeyKNWHGFHRKKYYND-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.73
Rot. Bonds2

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

7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 59837689) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID59837689
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCOc1cccc(F)c1-c1cc(C)c2nc(N)nnc2c1
InChIInChI=1S/C15H13FN4O/c1-8-6-9(7-11-14(8)18-15(17)20-19-11)13-10(16)4-3-5-12(13)21-2/h3-7H,1-2H3,(H2,17,18,20)
InChIKeyKNWHGFHRKKYYND-UHFFFAOYSA-N
XLogP2.73
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.73
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-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 59837689) is 7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine is COc1cccc(F)c1-c1cc(C)c2nc(N)nnc2c1.
What is the InChIKey of 7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is KNWHGFHRKKYYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-8-6-9(7-11-14(8)18-15(17)20-19-11)13-10(16)4-3-5-12(13)21-2/h3-7H,1-2H3,(H2,17,18,20).
What are the key properties of 7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine?
7-(2-fluoro-6-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 284.29 g/mol, XLogP of 2.73, 2 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-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 59837689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).