3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one

C8H7N3O2 — CID 11401090

IUPAC3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one
SMILESCc1ccc2c(=O)n(O)nnc2c1
InChIInChI=1S/C8H7N3O2/c1-5-2-3-6-7(4-5)9-10-11(13)8(6)12/h2-4,13H,1H3
InChIKeyHCRGFAOMJVISHM-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.34
Rot. Bonds

About 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one

3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one (PubChem CID 11401090) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one
PubChem CID11401090
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one
SMILESCc1ccc2c(=O)n(O)nnc2c1
InChIInChI=1S/C8H7N3O2/c1-5-2-3-6-7(4-5)9-10-11(13)8(6)12/h2-4,13H,1H3
InChIKeyHCRGFAOMJVISHM-UHFFFAOYSA-N
XLogP0.34
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one (CID 11401090) is 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one is Cc1ccc2c(=O)n(O)nnc2c1.
What is the InChIKey of 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one?
The InChIKey is HCRGFAOMJVISHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-2-3-6-7(4-5)9-10-11(13)8(6)12/h2-4,13H,1H3.
What are the key properties of 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one?
3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one has a molecular weight of 177.16 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methyl-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 11401090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).