6-methoxy-2H-1,2,4-benzotriazin-3-one

C8H7N3O2 — CID 68817274

IUPAC6-methoxy-2H-1,2,4-benzotriazin-3-one
SMILESCOc1ccc2n[nH]c(=O)nc2c1
InChIInChI=1S/C8H7N3O2/c1-13-5-2-3-6-7(4-5)9-8(12)11-10-6/h2-4H,1H3,(H,9,11,12)
InChIKeyRSHKOBMYGLZWEV-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.33
Rot. Bonds1

About 6-methoxy-2H-1,2,4-benzotriazin-3-one

6-methoxy-2H-1,2,4-benzotriazin-3-one (PubChem CID 68817274) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-methoxy-2H-1,2,4-benzotriazin-3-one.

Molecular Properties

Compound Name6-methoxy-2H-1,2,4-benzotriazin-3-one
PubChem CID68817274
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-methoxy-2H-1,2,4-benzotriazin-3-one
SMILESCOc1ccc2n[nH]c(=O)nc2c1
InChIInChI=1S/C8H7N3O2/c1-13-5-2-3-6-7(4-5)9-8(12)11-10-6/h2-4H,1H3,(H,9,11,12)
InChIKeyRSHKOBMYGLZWEV-UHFFFAOYSA-N
XLogP0.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2H-1,2,4-benzotriazin-3-one?
The IUPAC name of 6-methoxy-2H-1,2,4-benzotriazin-3-one (CID 68817274) is 6-methoxy-2H-1,2,4-benzotriazin-3-one.
What is the SMILES notation for 6-methoxy-2H-1,2,4-benzotriazin-3-one?
The canonical SMILES for 6-methoxy-2H-1,2,4-benzotriazin-3-one is COc1ccc2n[nH]c(=O)nc2c1.
What is the InChIKey of 6-methoxy-2H-1,2,4-benzotriazin-3-one?
The InChIKey is RSHKOBMYGLZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-13-5-2-3-6-7(4-5)9-8(12)11-10-6/h2-4H,1H3,(H,9,11,12).
What are the key properties of 6-methoxy-2H-1,2,4-benzotriazin-3-one?
6-methoxy-2H-1,2,4-benzotriazin-3-one has a molecular weight of 177.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2H-1,2,4-benzotriazin-3-one is sourced from PubChem (CID 68817274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).