diaminomethylideneazanium;tris(guanidine);hydron

C4H22N12+2 — CID 161072040

IUPACdiaminomethylideneazanium;tris(guanidine);hydron
SMILESNC(N)=[NH2+].[H+].[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/4CH5N3/c4*2-1(3)4/h4*(H5,2,3,4)/p+2
InChIKeyVGSVSNPGPVEMRT-UHFFFAOYSA-P
MW238.30 g/mol
LogP-6.35
Rot. Bonds

About diaminomethylideneazanium;tris(guanidine);hydron

diaminomethylideneazanium;tris(guanidine);hydron (PubChem CID 161072040) has the molecular formula C4H22N12+2 and a molecular weight of 238.30 g/mol. Its IUPAC name is diaminomethylideneazanium;tris(guanidine);hydron.

Molecular Properties

Compound Namediaminomethylideneazanium;tris(guanidine);hydron
PubChem CID161072040
Molecular FormulaC4H22N12+2
Molecular Weight238.30 g/mol
Exact Mass238.21
IUPAC Namediaminomethylideneazanium;tris(guanidine);hydron
SMILESNC(N)=[NH2+].[H+].[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/4CH5N3/c4*2-1(3)4/h4*(H5,2,3,4)/p+2
InChIKeyVGSVSNPGPVEMRT-UHFFFAOYSA-P
XLogP-6.35
TPSA305.30 Ų
H-Bond Donors12
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.30
LogP ≤ 5-6.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diaminomethylideneazanium;tris(guanidine);hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nickel diamidine
CID 172011534
CID 87073443
CID 87073443
Bis(diaminomethylideneazanium);iminomethylideneazanide
CID 141602122
Tris(guanidine);hydron
CID 159865869
CID 159865870
CID 159865870
Tris(guanidine);hydrochloride
CID 161493804
CID 172829088
CID 172829088
Hexakis(guanidine);hydrochloride
CID 175475542
Azane;guanidine
CID 176017089

Frequently Asked Questions

What is the IUPAC name of diaminomethylideneazanium;tris(guanidine);hydron?
The IUPAC name of diaminomethylideneazanium;tris(guanidine);hydron (CID 161072040) is diaminomethylideneazanium;tris(guanidine);hydron.
What is the SMILES notation for diaminomethylideneazanium;tris(guanidine);hydron?
The canonical SMILES for diaminomethylideneazanium;tris(guanidine);hydron is NC(N)=[NH2+].[H+].[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of diaminomethylideneazanium;tris(guanidine);hydron?
The InChIKey is VGSVSNPGPVEMRT-UHFFFAOYSA-P. The full InChI is InChI=1S/4CH5N3/c4*2-1(3)4/h4*(H5,2,3,4)/p+2.
What are the key properties of diaminomethylideneazanium;tris(guanidine);hydron?
diaminomethylideneazanium;tris(guanidine);hydron has a molecular weight of 238.30 g/mol, XLogP of -6.35, 0 rotatable bonds, 12 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylideneazanium;tris(guanidine);hydron is sourced from PubChem (CID 161072040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).