imidazol-1-ylalumane

C3H5AlN2 — CID 149115498

IUPACimidazol-1-ylalumane
SMILES[AlH2]n1ccnc1
InChIInChI=1S/C3H3N2.Al.2H/c1-2-5-3-4-1;;;/h1-3H;;;/q-1;+1;;
InChIKeyJXXPHXJHYIOKLB-UHFFFAOYSA-N
MW96.07 g/mol
LogP-0.72
Rot. Bonds

About imidazol-1-ylalumane

imidazol-1-ylalumane (PubChem CID 149115498) has the molecular formula C3H5AlN2 and a molecular weight of 96.07 g/mol. Its IUPAC name is imidazol-1-ylalumane.

Molecular Properties

Compound Nameimidazol-1-ylalumane
PubChem CID149115498
Molecular FormulaC3H5AlN2
Molecular Weight96.07 g/mol
Exact Mass96.03
IUPAC Nameimidazol-1-ylalumane
SMILES[AlH2]n1ccnc1
InChIInChI=1S/C3H3N2.Al.2H/c1-2-5-3-4-1;;;/h1-3H;;;/q-1;+1;;
InChIKeyJXXPHXJHYIOKLB-UHFFFAOYSA-N
XLogP-0.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.07
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-ethylimidazole;octane
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hexadecane;1-iodoimidazole
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1-(2-methylundecan-2-yl)imidazole
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aluminum;bis(1-methylimidazole);trichloride
CID 22075407
hydron;1-methylimidazole
CID 67251829
sodium;1-butylimidazole;bromide
CID 175480877

Frequently Asked Questions

What is the IUPAC name of imidazol-1-ylalumane?
The IUPAC name of imidazol-1-ylalumane (CID 149115498) is imidazol-1-ylalumane.
What is the SMILES notation for imidazol-1-ylalumane?
The canonical SMILES for imidazol-1-ylalumane is [AlH2]n1ccnc1.
What is the InChIKey of imidazol-1-ylalumane?
The InChIKey is JXXPHXJHYIOKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2.Al.2H/c1-2-5-3-4-1;;;/h1-3H;;;/q-1;+1;;.
What are the key properties of imidazol-1-ylalumane?
imidazol-1-ylalumane has a molecular weight of 96.07 g/mol, XLogP of -0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-ylalumane is sourced from PubChem (CID 149115498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).