4,5-dideuterio-1,2-dihydropyridazine-3,6-dione

C4H4N2O2 — CID 129318118

IUPAC4,5-dideuterio-1,2-dihydropyridazine-3,6-dione
SMILES[2H]c1c([2H])c(=O)[nH][nH]c1=O
InChIInChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)/i1D,2D
InChIKeyBGRDGMRNKXEXQD-QDNHWIQGSA-N
MW114.10 g/mol
LogP-0.94
Rot. Bonds

About 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione

4,5-dideuterio-1,2-dihydropyridazine-3,6-dione (PubChem CID 129318118) has the molecular formula C4H4N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4,5-dideuterio-1,2-dihydropyridazine-3,6-dione
PubChem CID129318118
Molecular FormulaC4H4N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name4,5-dideuterio-1,2-dihydropyridazine-3,6-dione
SMILES[2H]c1c([2H])c(=O)[nH][nH]c1=O
InChIInChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)/i1D,2D
InChIKeyBGRDGMRNKXEXQD-QDNHWIQGSA-N
XLogP-0.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione (CID 129318118) is 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione is [2H]c1c([2H])c(=O)[nH][nH]c1=O.
What is the InChIKey of 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione?
The InChIKey is BGRDGMRNKXEXQD-QDNHWIQGSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-2-4(8)6-5-3/h1-2H,(H,5,7)(H,6,8)/i1D,2D.
What are the key properties of 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione?
4,5-dideuterio-1,2-dihydropyridazine-3,6-dione has a molecular weight of 114.10 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dideuterio-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 129318118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).