isocyanatomethylhydrazine

C2H5N3O — CID 150144686

IUPACisocyanatomethylhydrazine
SMILESNNCN=C=O
InChIInChI=1S/C2H5N3O/c3-5-1-4-2-6/h5H,1,3H2
InChIKeyFDZUIOHUNZPSKU-UHFFFAOYSA-N
MW87.08 g/mol
LogP-1.26
Rot. Bonds2

About isocyanatomethylhydrazine

isocyanatomethylhydrazine (PubChem CID 150144686) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is isocyanatomethylhydrazine.

Molecular Properties

Compound Nameisocyanatomethylhydrazine
PubChem CID150144686
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Nameisocyanatomethylhydrazine
SMILESNNCN=C=O
InChIInChI=1S/C2H5N3O/c3-5-1-4-2-6/h5H,1,3H2
InChIKeyFDZUIOHUNZPSKU-UHFFFAOYSA-N
XLogP-1.26
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

1-Amino-3-methylideneurea
CID 21187130

Frequently Asked Questions

What is the IUPAC name of isocyanatomethylhydrazine?
The IUPAC name of isocyanatomethylhydrazine (CID 150144686) is isocyanatomethylhydrazine.
What is the SMILES notation for isocyanatomethylhydrazine?
The canonical SMILES for isocyanatomethylhydrazine is NNCN=C=O.
What is the InChIKey of isocyanatomethylhydrazine?
The InChIKey is FDZUIOHUNZPSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O/c3-5-1-4-2-6/h5H,1,3H2.
What are the key properties of isocyanatomethylhydrazine?
isocyanatomethylhydrazine has a molecular weight of 87.08 g/mol, XLogP of -1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanatomethylhydrazine is sourced from PubChem (CID 150144686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).