About (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate
(1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate (PubChem CID 139114328) has the molecular formula C18H21F3N4O4PtS
and a molecular weight of 641.53 g/mol. Its IUPAC name is (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate.
Molecular Properties
| Compound Name | (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate |
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| PubChem CID | 139114328 |
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| Molecular Formula | C18H21F3N4O4PtS |
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| Molecular Weight | 641.53 g/mol |
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| Exact Mass | 641.09 |
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| IUPAC Name | (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate |
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| SMILES | C=CCC/C([O-])=N/N(C)C.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/C10H8N2.C7H14N2O.CHF3O3S.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4-5-6-7(10)8-9(2)3;2-1(3,4)8(5,6)7;/h1-8H;4H,1,5-6H2,2-3H3,(H,8,10);(H,5,6,7);/q;;;+2/p-2 |
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| InChIKey | JPRMNLHJKFBMMT-UHFFFAOYSA-L |
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| XLogP | 2.38 |
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| TPSA | 121.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 641.53 |
| LogP ≤ 5 | 2.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate?
The IUPAC name of (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate (CID 139114328) is (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate.
What is the SMILES notation for (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate?
The canonical SMILES for (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate is C=CCC/C([O-])=N/N(C)C.O=S(=O)([O-])C(F)(F)F.[Pt+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate?
The InChIKey is JPRMNLHJKFBMMT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.C7H14N2O.CHF3O3S.Pt/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-4-5-6-7(10)8-9(2)3;2-1(3,4)8(5,6)7;/h1-8H;4H,1,5-6H2,2-3H3,(H,8,10);(H,5,6,7);/q;;;+2/p-2.
What are the key properties of (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate?
(1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate has a molecular weight of 641.53 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethylpent-4-enehydrazonate;platinum(2+);2-pyridin-2-ylpyridine;trifluoromethanesulfonate is sourced from PubChem (CID 139114328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).