5-methyl-3H-pyridazino[4,5-b]indol-4-one

C11H9N3O — CID 3056946

IUPAC5-methyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCn1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C11H9N3O/c1-14-9-5-3-2-4-7(9)8-6-12-13-11(15)10(8)14/h2-6H,1H3,(H,13,15)
InChIKeyDPBGBHOLCPPFOL-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.41
Rot. Bonds

About 5-methyl-3H-pyridazino[4,5-b]indol-4-one

5-methyl-3H-pyridazino[4,5-b]indol-4-one (PubChem CID 3056946) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-methyl-3H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5-methyl-3H-pyridazino[4,5-b]indol-4-one
PubChem CID3056946
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-methyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCn1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C11H9N3O/c1-14-9-5-3-2-4-7(9)8-6-12-13-11(15)10(8)14/h2-6H,1H3,(H,13,15)
InChIKeyDPBGBHOLCPPFOL-UHFFFAOYSA-N
XLogP1.41
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3H-pyridazino[4,5-b]indol-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 5-methyl-3H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 5-methyl-3H-pyridazino[4,5-b]indol-4-one (CID 3056946) is 5-methyl-3H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5-methyl-3H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5-methyl-3H-pyridazino[4,5-b]indol-4-one is Cn1c2ccccc2c2cn[nH]c(=O)c21.
What is the InChIKey of 5-methyl-3H-pyridazino[4,5-b]indol-4-one?
The InChIKey is DPBGBHOLCPPFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-9-5-3-2-4-7(9)8-6-12-13-11(15)10(8)14/h2-6H,1H3,(H,13,15).
What are the key properties of 5-methyl-3H-pyridazino[4,5-b]indol-4-one?
5-methyl-3H-pyridazino[4,5-b]indol-4-one has a molecular weight of 199.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 3056946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).