hydrazine;isocyanic acid

C2H6N4O2 — CID 88746590

IUPAChydrazine;isocyanic acid
SMILESN=C=O.N=C=O.NN
InChIInChI=1S/2CHNO.H4N2/c2*2-1-3;1-2/h2*2H;1-2H2
InChIKeyAKJPUEOOQPBXIF-UHFFFAOYSA-N
MW118.10 g/mol
LogP-1.38
Rot. Bonds

About hydrazine;isocyanic acid

hydrazine;isocyanic acid (PubChem CID 88746590) has the molecular formula C2H6N4O2 and a molecular weight of 118.10 g/mol. Its IUPAC name is hydrazine;isocyanic acid.

Molecular Properties

Compound Namehydrazine;isocyanic acid
PubChem CID88746590
Molecular FormulaC2H6N4O2
Molecular Weight118.10 g/mol
Exact Mass118.05
IUPAC Namehydrazine;isocyanic acid
SMILESN=C=O.N=C=O.NN
InChIInChI=1S/2CHNO.H4N2/c2*2-1-3;1-2/h2*2H;1-2H2
InChIKeyAKJPUEOOQPBXIF-UHFFFAOYSA-N
XLogP-1.38
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.10
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydrazine;isocyanic acid?
The IUPAC name of hydrazine;isocyanic acid (CID 88746590) is hydrazine;isocyanic acid.
What is the SMILES notation for hydrazine;isocyanic acid?
The canonical SMILES for hydrazine;isocyanic acid is N=C=O.N=C=O.NN.
What is the InChIKey of hydrazine;isocyanic acid?
The InChIKey is AKJPUEOOQPBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHNO.H4N2/c2*2-1-3;1-2/h2*2H;1-2H2.
What are the key properties of hydrazine;isocyanic acid?
hydrazine;isocyanic acid has a molecular weight of 118.10 g/mol, XLogP of -1.38, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;isocyanic acid is sourced from PubChem (CID 88746590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).