cyanamide;nitrous acid

CH3N3O2 — CID 174714431

IUPACcyanamide;nitrous acid
SMILESN#CN.O=NO
InChIInChI=1S/CH2N2.HNO2/c2*2-1-3/h2H2;(H,2,3)
InChIKeyVTBFCYLLDVGGDL-UHFFFAOYSA-N
MW89.05 g/mol
LogP-0.43
Rot. Bonds

About cyanamide;nitrous acid

cyanamide;nitrous acid (PubChem CID 174714431) has the molecular formula CH3N3O2 and a molecular weight of 89.05 g/mol. Its IUPAC name is cyanamide;nitrous acid.

Molecular Properties

Compound Namecyanamide;nitrous acid
PubChem CID174714431
Molecular FormulaCH3N3O2
Molecular Weight89.05 g/mol
Exact Mass89.02
IUPAC Namecyanamide;nitrous acid
SMILESN#CN.O=NO
InChIInChI=1S/CH2N2.HNO2/c2*2-1-3/h2H2;(H,2,3)
InChIKeyVTBFCYLLDVGGDL-UHFFFAOYSA-N
XLogP-0.43
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.05
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetonitrile;nitrous acid
CID 159088551
nickel;nitrous acid;hexahydrate
CID 173110001
nitrous acid;zirconium;pentahydrate
CID 173401323
potassium;hydride;nitrous acid;hydrate
CID 175146726
CID 88512913
CID 88512913
strontium cyanamide
CID 22399917
cyanamide;titanium
CID 172844967
cyanamide;phosphane
CID 87330007
disodium;cyanamide
CID 3015093
nickel;nitrous acid
CID 173223682
CID 156592461
CID 156592461
lithium cyanamide
CID 21431940

Frequently Asked Questions

What is the IUPAC name of cyanamide;nitrous acid?
The IUPAC name of cyanamide;nitrous acid (CID 174714431) is cyanamide;nitrous acid.
What is the SMILES notation for cyanamide;nitrous acid?
The canonical SMILES for cyanamide;nitrous acid is N#CN.O=NO.
What is the InChIKey of cyanamide;nitrous acid?
The InChIKey is VTBFCYLLDVGGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.HNO2/c2*2-1-3/h2H2;(H,2,3).
What are the key properties of cyanamide;nitrous acid?
cyanamide;nitrous acid has a molecular weight of 89.05 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;nitrous acid is sourced from PubChem (CID 174714431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).