1,2-diisocyanatoethane;hydrazine

C4H8N4O2 — CID 155127889

IUPAC1,2-diisocyanatoethane;hydrazine
SMILESNN.O=C=NCCN=C=O
InChIInChI=1S/C4H4N2O2.H4N2/c7-3-5-1-2-6-4-8;1-2/h1-2H2;1-2H2
InChIKeyFSINMFCKGNGVAT-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.52
Rot. Bonds3

About 1,2-diisocyanatoethane;hydrazine

1,2-diisocyanatoethane;hydrazine (PubChem CID 155127889) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1,2-diisocyanatoethane;hydrazine.

Molecular Properties

Compound Name1,2-diisocyanatoethane;hydrazine
PubChem CID155127889
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name1,2-diisocyanatoethane;hydrazine
SMILESNN.O=C=NCCN=C=O
InChIInChI=1S/C4H4N2O2.H4N2/c7-3-5-1-2-6-4-8;1-2/h1-2H2;1-2H2
InChIKeyFSINMFCKGNGVAT-UHFFFAOYSA-N
XLogP-1.52
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1,2-diisocyanatoethane;hydrazine?
The IUPAC name of 1,2-diisocyanatoethane;hydrazine (CID 155127889) is 1,2-diisocyanatoethane;hydrazine.
What is the SMILES notation for 1,2-diisocyanatoethane;hydrazine?
The canonical SMILES for 1,2-diisocyanatoethane;hydrazine is NN.O=C=NCCN=C=O.
What is the InChIKey of 1,2-diisocyanatoethane;hydrazine?
The InChIKey is FSINMFCKGNGVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.H4N2/c7-3-5-1-2-6-4-8;1-2/h1-2H2;1-2H2.
What are the key properties of 1,2-diisocyanatoethane;hydrazine?
1,2-diisocyanatoethane;hydrazine has a molecular weight of 144.13 g/mol, XLogP of -1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diisocyanatoethane;hydrazine is sourced from PubChem (CID 155127889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).