carbamimidoylazanide;yttrium(3+)

C3H12N9Y — CID 170554692

IUPACcarbamimidoylazanide;yttrium(3+)
SMILES[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[Y+3]
InChIInChI=1S/3CH4N3.Y/c3*2-1(3)4;/h3*(H4-,2,3,4);/q3*-1;+3
InChIKeyOYBYTNLWYNQNMJ-UHFFFAOYSA-N
MW263.10 g/mol
LogP-0.21
Rot. Bonds

About carbamimidoylazanide;yttrium(3+)

carbamimidoylazanide;yttrium(3+) (PubChem CID 170554692) has the molecular formula C3H12N9Y and a molecular weight of 263.10 g/mol. Its IUPAC name is carbamimidoylazanide;yttrium(3+).

Molecular Properties

Compound Namecarbamimidoylazanide;yttrium(3+)
PubChem CID170554692
Molecular FormulaC3H12N9Y
Molecular Weight263.10 g/mol
Exact Mass263.03
IUPAC Namecarbamimidoylazanide;yttrium(3+)
SMILES[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[Y+3]
InChIInChI=1S/3CH4N3.Y/c3*2-1(3)4;/h3*(H4-,2,3,4);/q3*-1;+3
InChIKeyOYBYTNLWYNQNMJ-UHFFFAOYSA-N
XLogP-0.21
TPSA221.01 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze carbamimidoylazanide;yttrium(3+) 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 carbamimidoylazanide;yttrium(3+)?
The IUPAC name of carbamimidoylazanide;yttrium(3+) (CID 170554692) is carbamimidoylazanide;yttrium(3+).
What is the SMILES notation for carbamimidoylazanide;yttrium(3+)?
The canonical SMILES for carbamimidoylazanide;yttrium(3+) is [H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[Y+3].
What is the InChIKey of carbamimidoylazanide;yttrium(3+)?
The InChIKey is OYBYTNLWYNQNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4N3.Y/c3*2-1(3)4;/h3*(H4-,2,3,4);/q3*-1;+3.
What are the key properties of carbamimidoylazanide;yttrium(3+)?
carbamimidoylazanide;yttrium(3+) has a molecular weight of 263.10 g/mol, XLogP of -0.21, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoylazanide;yttrium(3+) is sourced from PubChem (CID 170554692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).