1,4-dihydroindazol-4-ide;yttrium

C7H5N2Y- — CID 59593792

IUPAC1,4-dihydroindazol-4-ide;yttrium
SMILES[Y].[c-]1cccc2[nH]ncc12
InChIInChI=1S/C7H5N2.Y/c1-2-4-7-6(3-1)5-8-9-7;/h1-2,4-5H,(H,8,9);/q-1;
InChIKeyCQNRXZVRUMIWFN-UHFFFAOYSA-N
MW206.04 g/mol
LogP1.36
Rot. Bonds

About 1,4-dihydroindazol-4-ide;yttrium

1,4-dihydroindazol-4-ide;yttrium (PubChem CID 59593792) has the molecular formula C7H5N2Y- and a molecular weight of 206.04 g/mol. Its IUPAC name is 1,4-dihydroindazol-4-ide;yttrium.

Molecular Properties

Compound Name1,4-dihydroindazol-4-ide;yttrium
PubChem CID59593792
Molecular FormulaC7H5N2Y-
Molecular Weight206.04 g/mol
Exact Mass205.95
IUPAC Name1,4-dihydroindazol-4-ide;yttrium
SMILES[Y].[c-]1cccc2[nH]ncc12
InChIInChI=1S/C7H5N2.Y/c1-2-4-7-6(3-1)5-8-9-7;/h1-2,4-5H,(H,8,9);/q-1;
InChIKeyCQNRXZVRUMIWFN-UHFFFAOYSA-N
XLogP1.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,4-dihydroindazol-4-ide;yttrium?
The IUPAC name of 1,4-dihydroindazol-4-ide;yttrium (CID 59593792) is 1,4-dihydroindazol-4-ide;yttrium.
What is the SMILES notation for 1,4-dihydroindazol-4-ide;yttrium?
The canonical SMILES for 1,4-dihydroindazol-4-ide;yttrium is [Y].[c-]1cccc2[nH]ncc12.
What is the InChIKey of 1,4-dihydroindazol-4-ide;yttrium?
The InChIKey is CQNRXZVRUMIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2.Y/c1-2-4-7-6(3-1)5-8-9-7;/h1-2,4-5H,(H,8,9);/q-1;.
What are the key properties of 1,4-dihydroindazol-4-ide;yttrium?
1,4-dihydroindazol-4-ide;yttrium has a molecular weight of 206.04 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroindazol-4-ide;yttrium is sourced from PubChem (CID 59593792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).