N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide

C10H9N3O3 — CID 11521398

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C10H9N3O3/c1-5(14)11-7-4-2-3-6-8(7)10(16)13-12-9(6)15/h2-4H,1H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyQWAGPPBLDNLTBB-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.17
Rot. Bonds1

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide (PubChem CID 11521398) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
PubChem CID11521398
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C10H9N3O3/c1-5(14)11-7-4-2-3-6-8(7)10(16)13-12-9(6)15/h2-4H,1H3,(H,11,14)(H,12,15)(H,13,16)
InChIKeyQWAGPPBLDNLTBB-UHFFFAOYSA-N
XLogP0.17
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Luminol
CID 10638
3,5-Diaminophthalhydrazide
CID 1616
Sodium luminolate
CID 15480750
N-(4-Hydroxy-2-methyl-6-quinolinyl)acetamide
CID 308136
1,4-Phthalazinedione, 2,3-dihydro-5-nitro-
CID 3525223
2-phenyl-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 11544054
N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 11572178
N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 11652262
3-Acetamidophthalimide
CID 138666
2-Phenyl-2,3-dihydrophthalazine-1,4-dione
CID 225738
Benzoic acid, 2-(methylamino)-, hydrazide
CID 98337
N-Acetylanthranilic acid hydrazide
CID 242951

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide (CID 11521398) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide is CC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
The InChIKey is QWAGPPBLDNLTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-5(14)11-7-4-2-3-6-8(7)10(16)13-12-9(6)15/h2-4H,1H3,(H,11,14)(H,12,15)(H,13,16).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide has a molecular weight of 219.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide is sourced from PubChem (CID 11521398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).