5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one

C9H11N3O — CID 13257548

IUPAC5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
SMILESCc1c2cn[nH]c(=O)c2c(C)n1C
InChIInChI=1S/C9H11N3O/c1-5-7-4-10-11-9(13)8(7)6(2)12(5)3/h4H,1-3H3,(H,11,13)
InChIKeyYHMCEAGPNVSJHN-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.88
Rot. Bonds

About 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one

5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one (PubChem CID 13257548) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
PubChem CID13257548
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
SMILESCc1c2cn[nH]c(=O)c2c(C)n1C
InChIInChI=1S/C9H11N3O/c1-5-7-4-10-11-9(13)8(7)6(2)12(5)3/h4H,1-3H3,(H,11,13)
InChIKeyYHMCEAGPNVSJHN-UHFFFAOYSA-N
XLogP0.88
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-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 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
The IUPAC name of 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one (CID 13257548) is 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one.
What is the SMILES notation for 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
The canonical SMILES for 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one is Cc1c2cn[nH]c(=O)c2c(C)n1C.
What is the InChIKey of 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
The InChIKey is YHMCEAGPNVSJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-7-4-10-11-9(13)8(7)6(2)12(5)3/h4H,1-3H3,(H,11,13).
What are the key properties of 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one?
5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one has a molecular weight of 177.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one is sourced from PubChem (CID 13257548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).