amino(nitroso)cyanamide

CH2N4O — CID 86222366

IUPACamino(nitroso)cyanamide
SMILESN#CN(N)N=O
InChIInChI=1S/CH2N4O/c2-1-5(3)4-6/h3H2
InChIKeyBYJIMDXJVORMLB-UHFFFAOYSA-N
MW86.05 g/mol
LogP-0.68
Rot. Bonds1

About amino(nitroso)cyanamide

amino(nitroso)cyanamide (PubChem CID 86222366) has the molecular formula CH2N4O and a molecular weight of 86.05 g/mol. Its IUPAC name is amino(nitroso)cyanamide.

Molecular Properties

Compound Nameamino(nitroso)cyanamide
PubChem CID86222366
Molecular FormulaCH2N4O
Molecular Weight86.05 g/mol
Exact Mass86.02
IUPAC Nameamino(nitroso)cyanamide
SMILESN#CN(N)N=O
InChIInChI=1S/CH2N4O/c2-1-5(3)4-6/h3H2
InChIKeyBYJIMDXJVORMLB-UHFFFAOYSA-N
XLogP-0.68
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.05
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[cyano(nitroso)amino] hypoiodite
CID 166923687
acetonitrile;nitrous amide
CID 19755414
cyanamide;nitrous acid
CID 174714431
acetyl(amino)cyanamide
CID 6452580
amino-(dicyanoamino)phosphinic acid
CID 87606572
N-amino-N-ethylnitrous amide
CID 23266213
dicyanocyanamide
CID 14849309
azane;nitrous amide;platinum
CID 175070421
amino(cyclopropyl)cyanamide
CID 155737094
acetonitrile;nitrous acid
CID 159088551
amino(cyano)carbamodithioic acid
CID 57211782
[cyano(methyl)amino]-oxo-sulfidoazanium
CID 151077788

Frequently Asked Questions

What is the IUPAC name of amino(nitroso)cyanamide?
The IUPAC name of amino(nitroso)cyanamide (CID 86222366) is amino(nitroso)cyanamide.
What is the SMILES notation for amino(nitroso)cyanamide?
The canonical SMILES for amino(nitroso)cyanamide is N#CN(N)N=O.
What is the InChIKey of amino(nitroso)cyanamide?
The InChIKey is BYJIMDXJVORMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N4O/c2-1-5(3)4-6/h3H2.
What are the key properties of amino(nitroso)cyanamide?
amino(nitroso)cyanamide has a molecular weight of 86.05 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino(nitroso)cyanamide is sourced from PubChem (CID 86222366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).