1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine

C15H14N4O — CID 68775417

IUPAC1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2nnnc3ccccc23)cc1
InChIInChI=1S/C15H14N4O/c1-20-11-8-6-10(7-9-11)14(16)15-12-4-2-3-5-13(12)17-19-18-15/h2-9,14H,16H2,1H3
InChIKeyIFZGIKQBAJQXGQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.08
Rot. Bonds3

About 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine

1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine (PubChem CID 68775417) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine
PubChem CID68775417
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2nnnc3ccccc23)cc1
InChIInChI=1S/C15H14N4O/c1-20-11-8-6-10(7-9-11)14(16)15-12-4-2-3-5-13(12)17-19-18-15/h2-9,14H,16H2,1H3
InChIKeyIFZGIKQBAJQXGQ-UHFFFAOYSA-N
XLogP2.08
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine?
The IUPAC name of 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine (CID 68775417) is 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine.
What is the SMILES notation for 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine?
The canonical SMILES for 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2nnnc3ccccc23)cc1.
What is the InChIKey of 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine?
The InChIKey is IFZGIKQBAJQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-11-8-6-10(7-9-11)14(16)15-12-4-2-3-5-13(12)17-19-18-15/h2-9,14H,16H2,1H3.
What are the key properties of 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine?
1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine has a molecular weight of 266.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzotriazin-4-yl-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 68775417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).