tris(diaminomethylideneazanium);trichloride

C3H18Cl3N9 — CID 161127365

IUPACtris(diaminomethylideneazanium);trichloride
SMILESNC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/3CH5N3.3ClH/c3*2-1(3)4;;;/h3*(H5,2,3,4);3*1H
InChIKeyULSTVTFWIKSJRU-UHFFFAOYSA-N
MW286.60 g/mol
LogP-17.93
Rot. Bonds

About tris(diaminomethylideneazanium);trichloride

tris(diaminomethylideneazanium);trichloride (PubChem CID 161127365) has the molecular formula C3H18Cl3N9 and a molecular weight of 286.60 g/mol. Its IUPAC name is tris(diaminomethylideneazanium);trichloride.

Molecular Properties

Compound Nametris(diaminomethylideneazanium);trichloride
PubChem CID161127365
Molecular FormulaC3H18Cl3N9
Molecular Weight286.60 g/mol
Exact Mass285.08
IUPAC Nametris(diaminomethylideneazanium);trichloride
SMILESNC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/3CH5N3.3ClH/c3*2-1(3)4;;;/h3*(H5,2,3,4);3*1H
InChIKeyULSTVTFWIKSJRU-UHFFFAOYSA-N
XLogP-17.93
TPSA232.89 Ų
H-Bond Donors9
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.60
LogP ≤ 5-17.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 100

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 tris(diaminomethylideneazanium);trichloride?
The IUPAC name of tris(diaminomethylideneazanium);trichloride (CID 161127365) is tris(diaminomethylideneazanium);trichloride.
What is the SMILES notation for tris(diaminomethylideneazanium);trichloride?
The canonical SMILES for tris(diaminomethylideneazanium);trichloride is NC(N)=[NH2+].NC(N)=[NH2+].NC(N)=[NH2+].[Cl-].[Cl-].[Cl-].
What is the InChIKey of tris(diaminomethylideneazanium);trichloride?
The InChIKey is ULSTVTFWIKSJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH5N3.3ClH/c3*2-1(3)4;;;/h3*(H5,2,3,4);3*1H.
What are the key properties of tris(diaminomethylideneazanium);trichloride?
tris(diaminomethylideneazanium);trichloride has a molecular weight of 286.60 g/mol, XLogP of -17.93, 0 rotatable bonds, 9 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(diaminomethylideneazanium);trichloride is sourced from PubChem (CID 161127365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).