ethane;3-methyl-2H-phthalazine-1,4-dione

C11H14N2O2 — CID 162182328

IUPACethane;3-methyl-2H-phthalazine-1,4-dione
SMILESCC.Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H8N2O2.C2H6/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11;1-2/h2-5H,1H3,(H,10,12);1-2H3
InChIKeyZPEUGHNSZCZPBS-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.25
Rot. Bonds

About ethane;3-methyl-2H-phthalazine-1,4-dione

ethane;3-methyl-2H-phthalazine-1,4-dione (PubChem CID 162182328) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is ethane;3-methyl-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Nameethane;3-methyl-2H-phthalazine-1,4-dione
PubChem CID162182328
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Nameethane;3-methyl-2H-phthalazine-1,4-dione
SMILESCC.Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H8N2O2.C2H6/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11;1-2/h2-5H,1H3,(H,10,12);1-2H3
InChIKeyZPEUGHNSZCZPBS-UHFFFAOYSA-N
XLogP1.25
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;3-methyl-2H-phthalazine-1,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-tert-butyl-2H-phthalazine-1,4-dione
CID 1233995
ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium
CID 171843218
7-amino-2-methyl-1H-indazol-3-one
CID 83805511
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
3-(3,5-dimethylphenyl)-2H-phthalazine-1,4-dione
CID 166188406
3-(4-propan-2-ylphenyl)-2H-phthalazine-1,4-dione
CID 21106573
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
1,4-dioxo-3H-phthalazine-2-carbothioamide
CID 10104913
3-(2-iodophenyl)-2H-phthalazine-1,4-dione
CID 632478
3-[2-(bromomethyl)-2-ethylbutyl]-2H-phthalazine-1,4-dione
CID 64999038
1-methyl-3-oxo-2H-indazole-7-carbaldehyde
CID 105436370
methyl 4-(1,4-dioxo-3H-phthalazin-2-yl)butanoate
CID 43378338

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-phthalazine-1,4-dione?
The IUPAC name of ethane;3-methyl-2H-phthalazine-1,4-dione (CID 162182328) is ethane;3-methyl-2H-phthalazine-1,4-dione.
What is the SMILES notation for ethane;3-methyl-2H-phthalazine-1,4-dione?
The canonical SMILES for ethane;3-methyl-2H-phthalazine-1,4-dione is CC.Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of ethane;3-methyl-2H-phthalazine-1,4-dione?
The InChIKey is ZPEUGHNSZCZPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.C2H6/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11;1-2/h2-5H,1H3,(H,10,12);1-2H3.
What are the key properties of ethane;3-methyl-2H-phthalazine-1,4-dione?
ethane;3-methyl-2H-phthalazine-1,4-dione has a molecular weight of 206.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-phthalazine-1,4-dione is sourced from PubChem (CID 162182328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).