triazanium;tris(2-methylpropan-2-olate)

C12H39N3O3 — CID 139799993

IUPACtriazanium;tris(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/3C4H9O.3H3N/c3*1-4(2,3)5;;;/h3*1-3H3;3*1H3/q3*-1;;;/p+3
InChIKeyIJXSBXVLQNJETC-UHFFFAOYSA-Q
MW273.46 g/mol
LogP1.56
Rot. Bonds

About triazanium;tris(2-methylpropan-2-olate)

triazanium;tris(2-methylpropan-2-olate) (PubChem CID 139799993) has the molecular formula C12H39N3O3 and a molecular weight of 273.46 g/mol. Its IUPAC name is triazanium;tris(2-methylpropan-2-olate).

Molecular Properties

Compound Nametriazanium;tris(2-methylpropan-2-olate)
PubChem CID139799993
Molecular FormulaC12H39N3O3
Molecular Weight273.46 g/mol
Exact Mass273.30
IUPAC Nametriazanium;tris(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/3C4H9O.3H3N/c3*1-4(2,3)5;;;/h3*1-3H3;3*1H3/q3*-1;;;/p+3
InChIKeyIJXSBXVLQNJETC-UHFFFAOYSA-Q
XLogP1.56
TPSA178.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18400427
CID 136915932
CID 136915932
aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)
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Frequently Asked Questions

What is the IUPAC name of triazanium;tris(2-methylpropan-2-olate)?
The IUPAC name of triazanium;tris(2-methylpropan-2-olate) (CID 139799993) is triazanium;tris(2-methylpropan-2-olate).
What is the SMILES notation for triazanium;tris(2-methylpropan-2-olate)?
The canonical SMILES for triazanium;tris(2-methylpropan-2-olate) is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[NH4+].[NH4+].[NH4+].
What is the InChIKey of triazanium;tris(2-methylpropan-2-olate)?
The InChIKey is IJXSBXVLQNJETC-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C4H9O.3H3N/c3*1-4(2,3)5;;;/h3*1-3H3;3*1H3/q3*-1;;;/p+3.
What are the key properties of triazanium;tris(2-methylpropan-2-olate)?
triazanium;tris(2-methylpropan-2-olate) has a molecular weight of 273.46 g/mol, XLogP of 1.56, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazanium;tris(2-methylpropan-2-olate) is sourced from PubChem (CID 139799993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).