5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium

C5H4ClN2OY- — CID 170979464

IUPAC5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium
SMILESCn1nc[c-]c(Cl)c1=O.[Y]
InChIInChI=1S/C5H4ClN2O.Y/c1-8-5(9)4(6)2-3-7-8;/h3H,1H3;/q-1;
InChIKeyHVIFSRTZJMKJKJ-UHFFFAOYSA-N
MW232.46 g/mol
LogP0.23
Rot. Bonds

About 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium

5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium (PubChem CID 170979464) has the molecular formula C5H4ClN2OY- and a molecular weight of 232.46 g/mol. Its IUPAC name is 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium.

Molecular Properties

Compound Name5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium
PubChem CID170979464
Molecular FormulaC5H4ClN2OY-
Molecular Weight232.46 g/mol
Exact Mass231.91
IUPAC Name5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium
SMILESCn1nc[c-]c(Cl)c1=O.[Y]
InChIInChI=1S/C5H4ClN2O.Y/c1-8-5(9)4(6)2-3-7-8;/h3H,1H3;/q-1;
InChIKeyHVIFSRTZJMKJKJ-UHFFFAOYSA-N
XLogP0.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyldesphenylchloridazon
CID 594330
3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4-Chloro-5-methoxy-2-methyl-2,3-dihydropyridazin-3-one
CID 2774938
4-Chloro-5-hydroxy-2-methylpyridazin-3(2H)-one
CID 54695798
4,5-dichloro-2-ethyl-3(2H)-pyridazinone
CID 676426
4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one
CID 247944
3(2H)-Pyridazinone, 4,5-dichloro-2-propyl-
CID 10655922
4,5-dichloro-2-(ethoxymethyl)-3(2H)-pyridazinone
CID 13270700
Pyridazin-3(2H)-one, 4-chloro-2-methyl-5-methylthio-
CID 577256
2-Chloromethyl-4,5-dichloropyridazin-3(2H)-one
CID 4466062
5-Chloro-2-methylpyridazin-3(2H)-one
CID 12910144
4-Chloro-5-(dimethylamino)-2-methylpyridazin-3(2H)-one
CID 13410294

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium?
The IUPAC name of 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium (CID 170979464) is 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium.
What is the SMILES notation for 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium?
The canonical SMILES for 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium is Cn1nc[c-]c(Cl)c1=O.[Y].
What is the InChIKey of 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium?
The InChIKey is HVIFSRTZJMKJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN2O.Y/c1-8-5(9)4(6)2-3-7-8;/h3H,1H3;/q-1;.
What are the key properties of 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium?
5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium has a molecular weight of 232.46 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-4H-pyridazin-4-id-6-one;yttrium is sourced from PubChem (CID 170979464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).