N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide

C4H4N6O2 — CID 173088375

IUPACN'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide
SMILESN#C/N=C(\C=NO)NONC#N
InChIInChI=1S/C4H4N6O2/c5-2-7-4(1-8-11)10-12-9-3-6/h1,9,11H,(H,7,10)
InChIKeyWMIHCPWQDKKECK-UHFFFAOYSA-N
MW168.12 g/mol
LogP-1.17
Rot. Bonds3

About N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide

N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide (PubChem CID 173088375) has the molecular formula C4H4N6O2 and a molecular weight of 168.12 g/mol. Its IUPAC name is N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide.

Molecular Properties

Compound NameN'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide
PubChem CID173088375
Molecular FormulaC4H4N6O2
Molecular Weight168.12 g/mol
Exact Mass168.04
IUPAC NameN'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide
SMILESN#C/N=C(\C=NO)NONC#N
InChIInChI=1S/C4H4N6O2/c5-2-7-4(1-8-11)10-12-9-3-6/h1,9,11H,(H,7,10)
InChIKeyWMIHCPWQDKKECK-UHFFFAOYSA-N
XLogP-1.17
TPSA125.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl N'-cyanocarbamimidate
CID 15646036
(cyanoamino) 3-cyanoimino-2-methylbutanoate
CID 57150891
2-cyano-1-[(N'-cyanocarbamimidoyl)amino]guanidine
CID 91179638
2-((15N)azanylidyne(113C)methyl)(13C)guanidine
CID 172880658
CID 87768298
CID 87768298
azane;2-cyanoguanidine
CID 21470607
[(N'-cyanocarbamimidoyl)amino] perchlorate
CID 87628145
benzene;2-cyanoguanidine
CID 174939273
bis(2-cyanoguanidine);cyclohexane
CID 23431649
methyl N,2,2-tricyanoethanimidate
CID 56982903
methoxycyanamide
CID 15221623
dicyanomethylidenecyanamide
CID 14040994

Frequently Asked Questions

What is the IUPAC name of N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide?
The IUPAC name of N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide (CID 173088375) is N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide.
What is the SMILES notation for N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide?
The canonical SMILES for N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide is N#C/N=C(\C=NO)NONC#N.
What is the InChIKey of N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide?
The InChIKey is WMIHCPWQDKKECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6O2/c5-2-7-4(1-8-11)10-12-9-3-6/h1,9,11H,(H,7,10).
What are the key properties of N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide?
N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide has a molecular weight of 168.12 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-N-(cyanoamino)oxy-2-hydroxyiminoethanimidamide is sourced from PubChem (CID 173088375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).