1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium

C9H18N3O3+ — CID 3045805

IUPAC1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C5H14NO.C4H4N2O2/c1-6(2,3)4-5-7;7-3-1-2-4(8)6-5-3/h7H,4-5H2,1-3H3;1-2H,(H,5,7)(H,6,8)/q+1;
InChIKeyATBGNNCHICEGFV-UHFFFAOYSA-N
MW216.26 g/mol
LogP-1.25
Rot. Bonds2

About 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium

1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium (PubChem CID 3045805) has the molecular formula C9H18N3O3+ and a molecular weight of 216.26 g/mol. Its IUPAC name is 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium
PubChem CID3045805
Molecular FormulaC9H18N3O3+
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCO.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C5H14NO.C4H4N2O2/c1-6(2,3)4-5-7;7-3-1-2-4(8)6-5-3/h7H,4-5H2,1-3H3;1-2H,(H,5,7)(H,6,8)/q+1;
InChIKeyATBGNNCHICEGFV-UHFFFAOYSA-N
XLogP-1.25
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium (CID 3045805) is 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium is C[N+](C)(C)CCO.O=c1ccc(=O)[nH][nH]1.
What is the InChIKey of 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is ATBGNNCHICEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C4H4N2O2/c1-6(2,3)4-5-7;7-3-1-2-4(8)6-5-3/h7H,4-5H2,1-3H3;1-2H,(H,5,7)(H,6,8)/q+1;.
What are the key properties of 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium?
1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 216.26 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridazine-3,6-dione;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 3045805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).