carbamimidoylazanide;lanthanum(3+)

C3H12LaN9 — CID 170554693

IUPACcarbamimidoylazanide;lanthanum(3+)
SMILES[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[La+3]
InChIInChI=1S/3CH4N3.La/c3*2-1(3)4;/h3*(H4-,2,3,4);/q3*-1;+3
InChIKeyVXEAPNWLVLHSTQ-UHFFFAOYSA-N
MW313.10 g/mol
LogP-0.20
Rot. Bonds

About carbamimidoylazanide;lanthanum(3+)

carbamimidoylazanide;lanthanum(3+) (PubChem CID 170554693) has the molecular formula C3H12LaN9 and a molecular weight of 313.10 g/mol. Its IUPAC name is carbamimidoylazanide;lanthanum(3+).

Molecular Properties

Compound Namecarbamimidoylazanide;lanthanum(3+)
PubChem CID170554693
Molecular FormulaC3H12LaN9
Molecular Weight313.10 g/mol
Exact Mass313.03
IUPAC Namecarbamimidoylazanide;lanthanum(3+)
SMILES[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[La+3]
InChIInChI=1S/3CH4N3.La/c3*2-1(3)4;/h3*(H4-,2,3,4);/q3*-1;+3
InChIKeyVXEAPNWLVLHSTQ-UHFFFAOYSA-N
XLogP-0.20
TPSA221.01 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.10
LogP ≤ 5-0.20
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'}

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Frequently Asked Questions

What is the IUPAC name of carbamimidoylazanide;lanthanum(3+)?
The IUPAC name of carbamimidoylazanide;lanthanum(3+) (CID 170554693) is carbamimidoylazanide;lanthanum(3+).
What is the SMILES notation for carbamimidoylazanide;lanthanum(3+)?
The canonical SMILES for carbamimidoylazanide;lanthanum(3+) is [H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[H]/N=C(/[NH-])N.[La+3].
What is the InChIKey of carbamimidoylazanide;lanthanum(3+)?
The InChIKey is VXEAPNWLVLHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4N3.La/c3*2-1(3)4;/h3*(H4-,2,3,4);/q3*-1;+3.
What are the key properties of carbamimidoylazanide;lanthanum(3+)?
carbamimidoylazanide;lanthanum(3+) has a molecular weight of 313.10 g/mol, XLogP of -0.20, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoylazanide;lanthanum(3+) is sourced from PubChem (CID 170554693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).