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

C9H11N3O — CID 135502832

IUPAC3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]c(C)c2c(=O)n(C)ncc12
InChIInChI=1S/C9H11N3O/c1-5-7-4-10-12(3)9(13)8(7)6(2)11-5/h4,11H,1-3H3
InChIKeyBAJNXTBBZPQOMC-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.88
Rot. Bonds

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

3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one (PubChem CID 135502832) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
PubChem CID135502832
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one
SMILESCc1[nH]c(C)c2c(=O)n(C)ncc12
InChIInChI=1S/C9H11N3O/c1-5-7-4-10-12(3)9(13)8(7)6(2)11-5/h4,11H,1-3H3
InChIKeyBAJNXTBBZPQOMC-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

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The IUPAC name of 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one (CID 135502832) is 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one.
What is the SMILES notation for 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The canonical SMILES for 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one is Cc1[nH]c(C)c2c(=O)n(C)ncc12.
What is the InChIKey of 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
The InChIKey is BAJNXTBBZPQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-7-4-10-12(3)9(13)8(7)6(2)11-5/h4,11H,1-3H3.
What are the key properties of 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one?
3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-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 3,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-4-one is sourced from PubChem (CID 135502832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).