About buta-1,3-diene;hydrazine
buta-1,3-diene;hydrazine (PubChem CID 159339609) has the molecular formula C4H10N2
and a molecular weight of 86.14 g/mol. Its IUPAC name is buta-1,3-diene;hydrazine.
Molecular Properties
| Compound Name | buta-1,3-diene;hydrazine |
| PubChem CID | 159339609 |
| Molecular Formula | C4H10N2 |
| Molecular Weight | 86.14 g/mol |
| Exact Mass | 86.08 |
| IUPAC Name | buta-1,3-diene;hydrazine |
| SMILES | C=CC=C.NN |
| InChI | InChI=1S/C4H6.H4N2/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H2 |
| InChIKey | LFYYCKDVDIXVDT-UHFFFAOYSA-N |
| XLogP | 0.18 |
| TPSA | 52.04 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 6 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 86.14 |
| LogP ≤ 5 | 0.18 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'} |
|---|
Analyze buta-1,3-diene;hydrazine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of buta-1,3-diene;hydrazine?
The IUPAC name of buta-1,3-diene;hydrazine (CID 159339609) is buta-1,3-diene;hydrazine.
What is the SMILES notation for buta-1,3-diene;hydrazine?
The canonical SMILES for buta-1,3-diene;hydrazine is C=CC=C.NN.
What is the InChIKey of buta-1,3-diene;hydrazine?
The InChIKey is LFYYCKDVDIXVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.H4N2/c1-3-4-2;1-2/h3-4H,1-2H2;1-2H2.
What are the key properties of buta-1,3-diene;hydrazine?
buta-1,3-diene;hydrazine has a molecular weight of 86.14 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;hydrazine is sourced from PubChem (CID 159339609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).