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

C6H11N3O3 — CID 6451887

IUPAC2-aminoethanol;1,2-dihydropyridazine-3,6-dione
SMILESNCCO.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.C2H7NO/c7-3-1-2-4(8)6-5-3;3-1-2-4/h1-2H,(H,5,7)(H,6,8);4H,1-3H2
InChIKeyZRUUKURQYAUHQQ-UHFFFAOYSA-N
MW173.17 g/mol
LogP-2.00
Rot. Bonds1

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

2-aminoethanol;1,2-dihydropyridazine-3,6-dione (PubChem CID 6451887) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-aminoethanol;1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name2-aminoethanol;1,2-dihydropyridazine-3,6-dione
PubChem CID6451887
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-aminoethanol;1,2-dihydropyridazine-3,6-dione
SMILESNCCO.O=c1ccc(=O)[nH][nH]1
InChIInChI=1S/C4H4N2O2.C2H7NO/c7-3-1-2-4(8)6-5-3;3-1-2-4/h1-2H,(H,5,7)(H,6,8);4H,1-3H2
InChIKeyZRUUKURQYAUHQQ-UHFFFAOYSA-N
XLogP-2.00
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 2-aminoethanol;1,2-dihydropyridazine-3,6-dione (CID 6451887) is 2-aminoethanol;1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 2-aminoethanol;1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 2-aminoethanol;1,2-dihydropyridazine-3,6-dione is NCCO.O=c1ccc(=O)[nH][nH]1.
What is the InChIKey of 2-aminoethanol;1,2-dihydropyridazine-3,6-dione?
The InChIKey is ZRUUKURQYAUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C2H7NO/c7-3-1-2-4(8)6-5-3;3-1-2-4/h1-2H,(H,5,7)(H,6,8);4H,1-3H2.
What are the key properties of 2-aminoethanol;1,2-dihydropyridazine-3,6-dione?
2-aminoethanol;1,2-dihydropyridazine-3,6-dione has a molecular weight of 173.17 g/mol, XLogP of -2.00, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 6451887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).