3-methyl-1,5-dihydroindazol-5-ide;yttrium

C8H7N2Y- — CID 59098015

IUPAC3-methyl-1,5-dihydroindazol-5-ide;yttrium
SMILESCc1n[nH]c2cc[c-]cc12.[Y]
InChIInChI=1S/C8H7N2.Y/c1-6-7-4-2-3-5-8(7)10-9-6;/h3-5H,1H3,(H,9,10);/q-1;
InChIKeyAPRZARUCBHXINA-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.67
Rot. Bonds

About 3-methyl-1,5-dihydroindazol-5-ide;yttrium

3-methyl-1,5-dihydroindazol-5-ide;yttrium (PubChem CID 59098015) has the molecular formula C8H7N2Y- and a molecular weight of 220.06 g/mol. Its IUPAC name is 3-methyl-1,5-dihydroindazol-5-ide;yttrium.

Molecular Properties

Compound Name3-methyl-1,5-dihydroindazol-5-ide;yttrium
PubChem CID59098015
Molecular FormulaC8H7N2Y-
Molecular Weight220.06 g/mol
Exact Mass219.97
IUPAC Name3-methyl-1,5-dihydroindazol-5-ide;yttrium
SMILESCc1n[nH]c2cc[c-]cc12.[Y]
InChIInChI=1S/C8H7N2.Y/c1-6-7-4-2-3-5-8(7)10-9-6;/h3-5H,1H3,(H,9,10);/q-1;
InChIKeyAPRZARUCBHXINA-UHFFFAOYSA-N
XLogP1.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-1,5-dihydroindazol-5-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-dihydroindazol-5-ide;yttrium?
The IUPAC name of 3-methyl-1,5-dihydroindazol-5-ide;yttrium (CID 59098015) is 3-methyl-1,5-dihydroindazol-5-ide;yttrium.
What is the SMILES notation for 3-methyl-1,5-dihydroindazol-5-ide;yttrium?
The canonical SMILES for 3-methyl-1,5-dihydroindazol-5-ide;yttrium is Cc1n[nH]c2cc[c-]cc12.[Y].
What is the InChIKey of 3-methyl-1,5-dihydroindazol-5-ide;yttrium?
The InChIKey is APRZARUCBHXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.Y/c1-6-7-4-2-3-5-8(7)10-9-6;/h3-5H,1H3,(H,9,10);/q-1;.
What are the key properties of 3-methyl-1,5-dihydroindazol-5-ide;yttrium?
3-methyl-1,5-dihydroindazol-5-ide;yttrium has a molecular weight of 220.06 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-dihydroindazol-5-ide;yttrium is sourced from PubChem (CID 59098015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).