azane;1,2-dihydropyridazine-3,6-dione

C4H7N3O2 — CID 13371891

IUPACazane;1,2-dihydropyridazine-3,6-dione
SMILESN.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.H3N/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);1H3
InChIKeyLCUNINZNPMYVOC-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.77
Rot. Bonds

About azane;1,2-dihydropyridazine-3,6-dione

azane;1,2-dihydropyridazine-3,6-dione (PubChem CID 13371891) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is azane;1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Nameazane;1,2-dihydropyridazine-3,6-dione
PubChem CID13371891
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Nameazane;1,2-dihydropyridazine-3,6-dione
SMILESN.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.H3N/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);1H3
InChIKeyLCUNINZNPMYVOC-UHFFFAOYSA-N
XLogP-0.77
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;1,2-dihydropyridazine-3,6-dione?
The IUPAC name of azane;1,2-dihydropyridazine-3,6-dione (CID 13371891) is azane;1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for azane;1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for azane;1,2-dihydropyridazine-3,6-dione is N.O=c1ccc(=O)[nH][nH]1.
What is the InChIKey of azane;1,2-dihydropyridazine-3,6-dione?
The InChIKey is LCUNINZNPMYVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.H3N/c7-3-1-2-4(8)6-5-3;/h1-2H,(H,5,7)(H,6,8);1H3.
What are the key properties of azane;1,2-dihydropyridazine-3,6-dione?
azane;1,2-dihydropyridazine-3,6-dione has a molecular weight of 129.12 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 13371891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).