alumane;tris(nitric acid)

H6AlN3O9 — CID 173196891

IUPACalumane;tris(nitric acid)
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[AlH3]
InChIInChI=1S/Al.3HNO3.3H/c;3*2-1(3)4;;;/h;3*(H,2,3,4);;;
InChIKeyPUUGSEVTTYRPMB-UHFFFAOYSA-N
MW219.04 g/mol
LogP-2.23
Rot. Bonds

About alumane;tris(nitric acid)

alumane;tris(nitric acid) (PubChem CID 173196891) has the molecular formula H6AlN3O9 and a molecular weight of 219.04 g/mol. Its IUPAC name is alumane;tris(nitric acid).

Molecular Properties

Compound Namealumane;tris(nitric acid)
PubChem CID173196891
Molecular FormulaH6AlN3O9
Molecular Weight219.04 g/mol
Exact Mass218.99
IUPAC Namealumane;tris(nitric acid)
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[AlH3]
InChIInChI=1S/Al.3HNO3.3H/c;3*2-1(3)4;;;/h;3*(H,2,3,4);;;
InChIKeyPUUGSEVTTYRPMB-UHFFFAOYSA-N
XLogP-2.23
TPSA190.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of alumane;tris(nitric acid)?
The IUPAC name of alumane;tris(nitric acid) (CID 173196891) is alumane;tris(nitric acid).
What is the SMILES notation for alumane;tris(nitric acid)?
The canonical SMILES for alumane;tris(nitric acid) is O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.[AlH3].
What is the InChIKey of alumane;tris(nitric acid)?
The InChIKey is PUUGSEVTTYRPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.3HNO3.3H/c;3*2-1(3)4;;;/h;3*(H,2,3,4);;;.
What are the key properties of alumane;tris(nitric acid)?
alumane;tris(nitric acid) has a molecular weight of 219.04 g/mol, XLogP of -2.23, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tris(nitric acid) is sourced from PubChem (CID 173196891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).