2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetohydrazide

• ChemBase ID: 59781
• Molecular Formular: C10H10N4O3
• Molecular Mass: 234.2114
• Monoisotopic Mass: 234.0752902
• SMILES: n1(c(=O)[nH]c2c(c1=O)cccc2)CC(=O)NN
• Canonical SMILES: NNC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2
• InChI: InChI=1S/C10H10N4O3/c11-13-8(15)5-14-9(16)6-3-1-2-4-7(6)12-10(14)17/h1-4H,5,11H2,(H,12,17)(H,13,15)
• InChIKey: BBIUTKWWDHKWBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)acetohydrazide
• IUPAC Traditional name: 2-(2,4-dioxo-1H-quinazolin-3-yl)acetohydrazide
• Synonyms: 2-(2,4-Dioxo-1,4-dihydroquinazolin-3(2H)-yl)-acetohydrazide

Database IDs

• MDL Number: MFCD18064670
• PubChem SID: 162064544
• PubChem CID: 47001914

CALCULATED PROPERTIES

• Acid pKa: 11.260783
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.005758493
• LogD (pH = 7.4): -0.004879401
• Log P: -0.004811355
• Molar Refractivity: 61.0637 cm^3
• Polarizability: 21.90055 Å^3
• Polar Surface Area: 104.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false