1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium

C8H13N3O3RfY-2 — CID 59890949

IUPAC1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium
SMILES[CH2-]CN1C(=O)N([CH2-])C(O)N(CC)C1=O.[Rf].[Y]
InChIInChI=1S/C8H13N3O3.Rf.Y/c1-4-10-6(12)9(3)7(13)11(5-2)8(10)14;;/h7,13H,1,3-5H2,2H3;;/q-2;;
InChIKeyYHQYBGOFTJRUML-UHFFFAOYSA-N
MW555.12 g/mol
LogP0.06
Rot. Bonds2

About 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium

1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium (PubChem CID 59890949) has the molecular formula C8H13N3O3RfY-2 and a molecular weight of 555.12 g/mol. Its IUPAC name is 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium.

Molecular Properties

Compound Name1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium
PubChem CID59890949
Molecular FormulaC8H13N3O3RfY-2
Molecular Weight555.12 g/mol
Exact Mass555.12
IUPAC Name1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium
SMILES[CH2-]CN1C(=O)N([CH2-])C(O)N(CC)C1=O.[Rf].[Y]
InChIInChI=1S/C8H13N3O3.Rf.Y/c1-4-10-6(12)9(3)7(13)11(5-2)8(10)14;;/h7,13H,1,3-5H2,2H3;;/q-2;;
InChIKeyYHQYBGOFTJRUML-UHFFFAOYSA-N
XLogP0.06
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.12
LogP ≤ 50.06
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 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium?
The IUPAC name of 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium (CID 59890949) is 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium.
What is the SMILES notation for 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium?
The canonical SMILES for 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium is [CH2-]CN1C(=O)N([CH2-])C(O)N(CC)C1=O.[Rf].[Y].
What is the InChIKey of 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium?
The InChIKey is YHQYBGOFTJRUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3.Rf.Y/c1-4-10-6(12)9(3)7(13)11(5-2)8(10)14;;/h7,13H,1,3-5H2,2H3;;/q-2;;.
What are the key properties of 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium?
1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium has a molecular weight of 555.12 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-ethyl-6-hydroxy-5-methanidyl-1,3,5-triazinane-2,4-dione;rutherfordium;yttrium is sourced from PubChem (CID 59890949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).