1-methyl-5H-phthalazin-5-ide;yttrium

C9H7N2Y- — CID 59098045

IUPAC1-methyl-5H-phthalazin-5-ide;yttrium
SMILESCc1nncc2[c-]cccc12.[Y]
InChIInChI=1S/C9H7N2.Y/c1-7-9-5-3-2-4-8(9)6-10-11-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyKEDARLRBGTWESM-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.74
Rot. Bonds

About 1-methyl-5H-phthalazin-5-ide;yttrium

1-methyl-5H-phthalazin-5-ide;yttrium (PubChem CID 59098045) has the molecular formula C9H7N2Y- and a molecular weight of 232.08 g/mol. Its IUPAC name is 1-methyl-5H-phthalazin-5-ide;yttrium.

Molecular Properties

Compound Name1-methyl-5H-phthalazin-5-ide;yttrium
PubChem CID59098045
Molecular FormulaC9H7N2Y-
Molecular Weight232.08 g/mol
Exact Mass231.97
IUPAC Name1-methyl-5H-phthalazin-5-ide;yttrium
SMILESCc1nncc2[c-]cccc12.[Y]
InChIInChI=1S/C9H7N2.Y/c1-7-9-5-3-2-4-8(9)6-10-11-7;/h2-3,5-6H,1H3;/q-1;
InChIKeyKEDARLRBGTWESM-UHFFFAOYSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5H-phthalazin-5-ide;yttrium?
The IUPAC name of 1-methyl-5H-phthalazin-5-ide;yttrium (CID 59098045) is 1-methyl-5H-phthalazin-5-ide;yttrium.
What is the SMILES notation for 1-methyl-5H-phthalazin-5-ide;yttrium?
The canonical SMILES for 1-methyl-5H-phthalazin-5-ide;yttrium is Cc1nncc2[c-]cccc12.[Y].
What is the InChIKey of 1-methyl-5H-phthalazin-5-ide;yttrium?
The InChIKey is KEDARLRBGTWESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N2.Y/c1-7-9-5-3-2-4-8(9)6-10-11-7;/h2-3,5-6H,1H3;/q-1;.
What are the key properties of 1-methyl-5H-phthalazin-5-ide;yttrium?
1-methyl-5H-phthalazin-5-ide;yttrium has a molecular weight of 232.08 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5H-phthalazin-5-ide;yttrium is sourced from PubChem (CID 59098045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).