3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione

C13H12N2O2 — CID 899773

IUPAC3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione
SMILESCC1=CCn2c(=O)c3ccccc3c(=O)n2C1
InChIInChI=1S/C13H12N2O2/c1-9-6-7-14-12(16)10-4-2-3-5-11(10)13(17)15(14)8-9/h2-6H,7-8H2,1H3
InChIKeyGDWFDKOUGCYTFH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.12
Rot. Bonds

About 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione

3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione (PubChem CID 899773) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione.

Molecular Properties

Compound Name3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione
PubChem CID899773
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione
SMILESCC1=CCn2c(=O)c3ccccc3c(=O)n2C1
InChIInChI=1S/C13H12N2O2/c1-9-6-7-14-12(16)10-4-2-3-5-11(10)13(17)15(14)8-9/h2-6H,7-8H2,1H3
InChIKeyGDWFDKOUGCYTFH-UHFFFAOYSA-N
XLogP1.12
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione?
The IUPAC name of 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione (CID 899773) is 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione.
What is the SMILES notation for 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione?
The canonical SMILES for 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione is CC1=CCn2c(=O)c3ccccc3c(=O)n2C1.
What is the InChIKey of 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione?
The InChIKey is GDWFDKOUGCYTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-6-7-14-12(16)10-4-2-3-5-11(10)13(17)15(14)8-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione?
3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione has a molecular weight of 228.25 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione is sourced from PubChem (CID 899773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).