About (Z)-1-N',4-N'-diaminobut-2-enediimidamide
(Z)-1-N',4-N'-diaminobut-2-enediimidamide (PubChem CID 139997466) has the molecular formula C4H10N6
and a molecular weight of 142.17 g/mol. Its IUPAC name is (Z)-1-N',4-N'-diaminobut-2-enediimidamide.
Molecular Properties
| Compound Name | (Z)-1-N',4-N'-diaminobut-2-enediimidamide |
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| PubChem CID | 139997466 |
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| Molecular Formula | C4H10N6 |
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| Molecular Weight | 142.17 g/mol |
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| Exact Mass | 142.10 |
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| IUPAC Name | (Z)-1-N',4-N'-diaminobut-2-enediimidamide |
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| SMILES | N/N=C(N)/C=C\C(N)=N\N |
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| InChI | InChI=1S/C4H10N6/c5-3(9-7)1-2-4(6)10-8/h1-2H,7-8H2,(H2,5,9)(H2,6,10)/b2-1- |
|---|
| InChIKey | YVGAQQONZIMTRQ-UPHRSURJSA-N |
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| XLogP | -2.00 |
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| TPSA | 128.80 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 142.17 |
| LogP ≤ 5 | -2.00 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (Z)-1-N',4-N'-diaminobut-2-enediimidamide?
The IUPAC name of (Z)-1-N',4-N'-diaminobut-2-enediimidamide (CID 139997466) is (Z)-1-N',4-N'-diaminobut-2-enediimidamide.
What is the SMILES notation for (Z)-1-N',4-N'-diaminobut-2-enediimidamide?
The canonical SMILES for (Z)-1-N',4-N'-diaminobut-2-enediimidamide is N/N=C(N)/C=C\C(N)=N\N.
What is the InChIKey of (Z)-1-N',4-N'-diaminobut-2-enediimidamide?
The InChIKey is YVGAQQONZIMTRQ-UPHRSURJSA-N. The full InChI is InChI=1S/C4H10N6/c5-3(9-7)1-2-4(6)10-8/h1-2H,7-8H2,(H2,5,9)(H2,6,10)/b2-1-.
What are the key properties of (Z)-1-N',4-N'-diaminobut-2-enediimidamide?
(Z)-1-N',4-N'-diaminobut-2-enediimidamide has a molecular weight of 142.17 g/mol, XLogP of -2.00, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N',4-N'-diaminobut-2-enediimidamide is sourced from PubChem (CID 139997466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).