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

C7H5N3O — CID 135408793

IUPAC3H-1,2,3-benzotriazin-4-one
SMILESO=c1[nH]nnc2ccccc12
InChIInChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)
InChIKeyDMSSTTLDFWKBSX-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.32
Rot. Bonds

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

3H-1,2,3-benzotriazin-4-one (PubChem CID 135408793) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 3H-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3H-1,2,3-benzotriazin-4-one
PubChem CID135408793
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name3H-1,2,3-benzotriazin-4-one
SMILESO=c1[nH]nnc2ccccc12
InChIInChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)
InChIKeyDMSSTTLDFWKBSX-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3H-1,2,3-benzotriazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3H-1,2,3-benzotriazin-4-one?
The IUPAC name of 3H-1,2,3-benzotriazin-4-one (CID 135408793) is 3H-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3H-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3H-1,2,3-benzotriazin-4-one is O=c1[nH]nnc2ccccc12.
What is the InChIKey of 3H-1,2,3-benzotriazin-4-one?
The InChIKey is DMSSTTLDFWKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11).
What are the key properties of 3H-1,2,3-benzotriazin-4-one?
3H-1,2,3-benzotriazin-4-one has a molecular weight of 147.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 135408793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).