1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium

C11H12NY- — CID 59708934

IUPAC1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium
SMILES[3H]c1c(C)n(C)c2c[c-]cc(C)c12.[Y]
InChIInChI=1S/C11H12N.Y/c1-8-5-4-6-11-10(8)7-9(2)12(11)3;/h5-7H,1-3H3;/q-1;/i7T;
InChIKeyCGZNVCWYGUQZAR-GSAKUAQZSA-N
MW249.14 g/mol
LogP2.59
Rot. Bonds

About 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium

1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium (PubChem CID 59708934) has the molecular formula C11H12NY- and a molecular weight of 249.14 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium.

Molecular Properties

Compound Name1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium
PubChem CID59708934
Molecular FormulaC11H12NY-
Molecular Weight249.14 g/mol
Exact Mass249.01
IUPAC Name1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium
SMILES[3H]c1c(C)n(C)c2c[c-]cc(C)c12.[Y]
InChIInChI=1S/C11H12N.Y/c1-8-5-4-6-11-10(8)7-9(2)12(11)3;/h5-7H,1-3H3;/q-1;/i7T;
InChIKeyCGZNVCWYGUQZAR-GSAKUAQZSA-N
XLogP2.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
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 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium?
The IUPAC name of 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium (CID 59708934) is 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium.
What is the SMILES notation for 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium?
The canonical SMILES for 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium is [3H]c1c(C)n(C)c2c[c-]cc(C)c12.[Y].
What is the InChIKey of 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium?
The InChIKey is CGZNVCWYGUQZAR-GSAKUAQZSA-N. The full InChI is InChI=1S/C11H12N.Y/c1-8-5-4-6-11-10(8)7-9(2)12(11)3;/h5-7H,1-3H3;/q-1;/i7T;.
What are the key properties of 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium?
1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium has a molecular weight of 249.14 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-tritio-6H-indol-6-ide;yttrium is sourced from PubChem (CID 59708934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).