cyanoiminomethylideneazanide;tetradeuterioazanium

C2H4N4 — CID 139130085

IUPACcyanoiminomethylideneazanide;tetradeuterioazanium
SMILESN#CN=C=[N-].[2H][N+]([2H])([2H])[2H]
InChIInChI=1S/C2N3.H3N/c3-1-5-2-4;/h;1H3/q-1;/p+1/i/hD4
InChIKeyGUDDEHBNGLZMKA-JBISRTOLSA-O
MW88.11 g/mol
LogP0.59
Rot. Bonds

About cyanoiminomethylideneazanide;tetradeuterioazanium

cyanoiminomethylideneazanide;tetradeuterioazanium (PubChem CID 139130085) has the molecular formula C2H4N4 and a molecular weight of 88.11 g/mol. Its IUPAC name is cyanoiminomethylideneazanide;tetradeuterioazanium.

Molecular Properties

Compound Namecyanoiminomethylideneazanide;tetradeuterioazanium
PubChem CID139130085
Molecular FormulaC2H4N4
Molecular Weight88.11 g/mol
Exact Mass88.07
IUPAC Namecyanoiminomethylideneazanide;tetradeuterioazanium
SMILESN#CN=C=[N-].[2H][N+]([2H])([2H])[2H]
InChIInChI=1S/C2N3.H3N/c3-1-5-2-4;/h;1H3/q-1;/p+1/i/hD4
InChIKeyGUDDEHBNGLZMKA-JBISRTOLSA-O
XLogP0.59
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanoiminomethylideneazanide;tetradeuterioazanium?
The IUPAC name of cyanoiminomethylideneazanide;tetradeuterioazanium (CID 139130085) is cyanoiminomethylideneazanide;tetradeuterioazanium.
What is the SMILES notation for cyanoiminomethylideneazanide;tetradeuterioazanium?
The canonical SMILES for cyanoiminomethylideneazanide;tetradeuterioazanium is N#CN=C=[N-].[2H][N+]([2H])([2H])[2H].
What is the InChIKey of cyanoiminomethylideneazanide;tetradeuterioazanium?
The InChIKey is GUDDEHBNGLZMKA-JBISRTOLSA-O. The full InChI is InChI=1S/C2N3.H3N/c3-1-5-2-4;/h;1H3/q-1;/p+1/i/hD4.
What are the key properties of cyanoiminomethylideneazanide;tetradeuterioazanium?
cyanoiminomethylideneazanide;tetradeuterioazanium has a molecular weight of 88.11 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoiminomethylideneazanide;tetradeuterioazanium is sourced from PubChem (CID 139130085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).