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

C9H9N3O2 — CID 122431840

IUPAC6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
SMILESCOc1ccc2nnn(C)c(=O)c2c1
InChIInChI=1S/C9H9N3O2/c1-12-9(13)7-5-6(14-2)3-4-8(7)10-11-12/h3-5H,1-2H3
InChIKeyMEGZEGKZAFATBZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.34
Rot. Bonds1

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

6-methoxy-3-methyl-1,2,3-benzotriazin-4-one (PubChem CID 122431840) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
PubChem CID122431840
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
SMILESCOc1ccc2nnn(C)c(=O)c2c1
InChIInChI=1S/C9H9N3O2/c1-12-9(13)7-5-6(14-2)3-4-8(7)10-11-12/h3-5H,1-2H3
InChIKeyMEGZEGKZAFATBZ-UHFFFAOYSA-N
XLogP0.34
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one?
The IUPAC name of 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one (CID 122431840) is 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one?
The canonical SMILES for 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one is COc1ccc2nnn(C)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one?
The InChIKey is MEGZEGKZAFATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12-9(13)7-5-6(14-2)3-4-8(7)10-11-12/h3-5H,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one?
6-methoxy-3-methyl-1,2,3-benzotriazin-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 122431840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).