3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium

C9H13N2OY- — CID 58719491

IUPAC3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium
SMILESCc1[c-]c(C)c(=O)n(C(C)C)n1.[Y]
InChIInChI=1S/C9H13N2O.Y/c1-6(2)11-9(12)7(3)5-8(4)10-11;/h6H,1-4H3;/q-1;
InChIKeyKRKISUWLTHXYCC-UHFFFAOYSA-N
MW254.12 g/mol
LogP1.24
Rot. Bonds1

About 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium

3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium (PubChem CID 58719491) has the molecular formula C9H13N2OY- and a molecular weight of 254.12 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium
PubChem CID58719491
Molecular FormulaC9H13N2OY-
Molecular Weight254.12 g/mol
Exact Mass254.01
IUPAC Name3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium
SMILESCc1[c-]c(C)c(=O)n(C(C)C)n1.[Y]
InChIInChI=1S/C9H13N2O.Y/c1-6(2)11-9(12)7(3)5-8(4)10-11;/h6H,1-4H3;/q-1;
InChIKeyKRKISUWLTHXYCC-UHFFFAOYSA-N
XLogP1.24
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 51.24
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

5,6-Dimethyl-2-(2-methylprop-2-enyl)-3-oxopyridazine-4-carbonitrile
CID 9380335
6-Methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
CID 15054348
6-Methyl-2-propylpyridazin-3-one
CID 12504076
2,4,5,6-Tetramethylpyridazin-3-one
CID 18683336
6-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 58336912
4,5,6-Trimethyl-2-propan-2-ylpyridazin-3-one
CID 58962214
CID 59303826
CID 59303826
6-Methyl-2-(2-methylpropyl)pyridazin-3-one
CID 59803322
2-Butan-2-yl-6-methylpyridazin-3-one
CID 59803329
Ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827651
2-Ethyl-5-methyl-4-propan-2-ylidenepyrazol-3-one
CID 118402957
CID 140659590
CID 140659590

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium (CID 58719491) is 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium is Cc1[c-]c(C)c(=O)n(C(C)C)n1.[Y].
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium?
The InChIKey is KRKISUWLTHXYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O.Y/c1-6(2)11-9(12)7(3)5-8(4)10-11;/h6H,1-4H3;/q-1;.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium?
3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium has a molecular weight of 254.12 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium is sourced from PubChem (CID 58719491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).