ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium

C14H21N2O2Y- — CID 171843218

IUPACethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium
SMILESCC.CCC.Cn1[nH]c(=O)c2cc[c-]cc2c1=O.[Y]
InChIInChI=1S/C9H7N2O2.C3H8.C2H6.Y/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11;1-3-2;1-2;/h2,4-5H,1H3,(H,10,12);3H2,1-2H3;1-2H3;/q-1;;;
InChIKeyQQCLKYDFDVWEFK-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.47
Rot. Bonds

About ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium

ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium (PubChem CID 171843218) has the molecular formula C14H21N2O2Y- and a molecular weight of 338.24 g/mol. Its IUPAC name is ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium.

Molecular Properties

Compound Nameethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium
PubChem CID171843218
Molecular FormulaC14H21N2O2Y-
Molecular Weight338.24 g/mol
Exact Mass338.07
IUPAC Nameethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium
SMILESCC.CCC.Cn1[nH]c(=O)c2cc[c-]cc2c1=O.[Y]
InChIInChI=1S/C9H7N2O2.C3H8.C2H6.Y/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11;1-3-2;1-2;/h2,4-5H,1H3,(H,10,12);3H2,1-2H3;1-2H3;/q-1;;;
InChIKeyQQCLKYDFDVWEFK-UHFFFAOYSA-N
XLogP2.47
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium?
The IUPAC name of ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium (CID 171843218) is ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium.
What is the SMILES notation for ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium?
The canonical SMILES for ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium is CC.CCC.Cn1[nH]c(=O)c2cc[c-]cc2c1=O.[Y].
What is the InChIKey of ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium?
The InChIKey is QQCLKYDFDVWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2O2.C3H8.C2H6.Y/c1-11-9(13)7-5-3-2-4-6(7)8(12)10-11;1-3-2;1-2;/h2,4-5H,1H3,(H,10,12);3H2,1-2H3;1-2H3;/q-1;;;.
What are the key properties of ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium?
ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium has a molecular weight of 338.24 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2,6-dihydrophthalazin-6-ide-1,4-dione;propane;yttrium is sourced from PubChem (CID 171843218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).