5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium

C5H5N2O2Y- — CID 58493403

IUPAC5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium
SMILESCn1ncc(O)[c-]c1=O.[Y]
InChIInChI=1S/C5H5N2O2.Y/c1-7-5(9)2-4(8)3-6-7;/h3,8H,1H3;/q-1;
InChIKeyHUWVGVYZSTUHAW-UHFFFAOYSA-N
MW214.01 g/mol
LogP-0.72
Rot. Bonds

About 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium

5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium (PubChem CID 58493403) has the molecular formula C5H5N2O2Y- and a molecular weight of 214.01 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium
PubChem CID58493403
Molecular FormulaC5H5N2O2Y-
Molecular Weight214.01 g/mol
Exact Mass213.94
IUPAC Name5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium
SMILESCn1ncc(O)[c-]c1=O.[Y]
InChIInChI=1S/C5H5N2O2.Y/c1-7-5(9)2-4(8)3-6-7;/h3,8H,1H3;/q-1;
InChIKeyHUWVGVYZSTUHAW-UHFFFAOYSA-N
XLogP-0.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.01
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 54695798
5-Hydroxy-2-methyl-2,3-dihydropyridazin-3-one
CID 58493404
4-Bromo-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 54715447
Rsyrxdsfewyaqx-uhfffaoysa-
CID 54695801
5-Bromo-1-ethyl-4-hydroxypyridazin-6-one
CID 54715446
4-Chloro-2-ethyl-5-hydroxypyridazin-3(2H)-one
CID 54680771
5-Hydroxy-1,2-dimethylpyridazin-1-ium-3-one
CID 122229069
2-Ethyl-5-hydroxy-2,3-dihydropyridazin-3-one
CID 129452088
5-Hydroxy-4-iodo-2-methylpyridazin-3-one
CID 172410466
2-Ethyl-5-hydroxy-4-iodopyridazin-3-one
CID 172410468

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium?
The IUPAC name of 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium (CID 58493403) is 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium.
What is the SMILES notation for 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium?
The canonical SMILES for 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium is Cn1ncc(O)[c-]c1=O.[Y].
What is the InChIKey of 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium?
The InChIKey is HUWVGVYZSTUHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O2.Y/c1-7-5(9)2-4(8)3-6-7;/h3,8H,1H3;/q-1;.
What are the key properties of 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium?
5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium has a molecular weight of 214.01 g/mol, XLogP of -0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-4H-pyridazin-4-id-3-one;yttrium is sourced from PubChem (CID 58493403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).