aluminum guanidine

CH5AlN3+3 — CID 172795268

IUPACaluminum guanidine
SMILES[Al+3].[H]N=C(N)N
InChIInChI=1S/CH5N3.Al/c2-1(3)4;/h(H5,2,3,4);/q;+3
InChIKeyQCRBOIVFMGTGBB-UHFFFAOYSA-N
MW86.05 g/mol
LogP-1.54
Rot. Bonds

About aluminum guanidine

aluminum guanidine (PubChem CID 172795268) has the molecular formula CH5AlN3+3 and a molecular weight of 86.05 g/mol. Its IUPAC name is aluminum guanidine.

Molecular Properties

Compound Namealuminum guanidine
PubChem CID172795268
Molecular FormulaCH5AlN3+3
Molecular Weight86.05 g/mol
Exact Mass86.03
IUPAC Namealuminum guanidine
SMILES[Al+3].[H]N=C(N)N
InChIInChI=1S/CH5N3.Al/c2-1(3)4;/h(H5,2,3,4);/q;+3
InChIKeyQCRBOIVFMGTGBB-UHFFFAOYSA-N
XLogP-1.54
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.05
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze aluminum guanidine 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 aluminum guanidine?
The IUPAC name of aluminum guanidine (CID 172795268) is aluminum guanidine.
What is the SMILES notation for aluminum guanidine?
The canonical SMILES for aluminum guanidine is [Al+3].[H]N=C(N)N.
What is the InChIKey of aluminum guanidine?
The InChIKey is QCRBOIVFMGTGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.Al/c2-1(3)4;/h(H5,2,3,4);/q;+3.
What are the key properties of aluminum guanidine?
aluminum guanidine has a molecular weight of 86.05 g/mol, XLogP of -1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum guanidine is sourced from PubChem (CID 172795268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).