potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide

C3H2KN5 — CID 23695976

IUPACpotassium (N'-cyanocarbamimidoyl)iminomethylideneazanide
SMILESN#C/N=C(/N)N=C=[N-].[K+]
InChIInChI=1S/C3H2N5.K/c4-1-7-3(6)8-2-5;/h(H2,6,7);/q-1;+1
InChIKeyTZKAMKBZQWNRDB-UHFFFAOYSA-N
MW147.18 g/mol
LogP-3.47
Rot. Bonds

About potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide

potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide (PubChem CID 23695976) has the molecular formula C3H2KN5 and a molecular weight of 147.18 g/mol. Its IUPAC name is potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide.

Molecular Properties

Compound Namepotassium (N'-cyanocarbamimidoyl)iminomethylideneazanide
PubChem CID23695976
Molecular FormulaC3H2KN5
Molecular Weight147.18 g/mol
Exact Mass146.99
IUPAC Namepotassium (N'-cyanocarbamimidoyl)iminomethylideneazanide
SMILESN#C/N=C(/N)N=C=[N-].[K+]
InChIInChI=1S/C3H2N5.K/c4-1-7-3(6)8-2-5;/h(H2,6,7);/q-1;+1
InChIKeyTZKAMKBZQWNRDB-UHFFFAOYSA-N
XLogP-3.47
TPSA96.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-3.47
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide?
The IUPAC name of potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide (CID 23695976) is potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide.
What is the SMILES notation for potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide?
The canonical SMILES for potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide is N#C/N=C(/N)N=C=[N-].[K+].
What is the InChIKey of potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide?
The InChIKey is TZKAMKBZQWNRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N5.K/c4-1-7-3(6)8-2-5;/h(H2,6,7);/q-1;+1.
What are the key properties of potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide?
potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide has a molecular weight of 147.18 g/mol, XLogP of -3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (N'-cyanocarbamimidoyl)iminomethylideneazanide is sourced from PubChem (CID 23695976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).