About [amino-(imidazol-2-ylideneamino)methylidene]azanium
[amino-(imidazol-2-ylideneamino)methylidene]azanium (PubChem CID 91130870) has the molecular formula C4H6N5+
and a molecular weight of 124.13 g/mol. Its IUPAC name is [amino-(imidazol-2-ylideneamino)methylidene]azanium.
Molecular Properties
| Compound Name | [amino-(imidazol-2-ylideneamino)methylidene]azanium |
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| PubChem CID | 91130870 |
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| Molecular Formula | C4H6N5+ |
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| Molecular Weight | 124.13 g/mol |
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| Exact Mass | 124.06 |
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| IUPAC Name | [amino-(imidazol-2-ylideneamino)methylidene]azanium |
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| SMILES | NC(=[NH2+])N=C1N=CC=N1 |
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| InChI | InChI=1S/C4H5N5/c5-3(6)9-4-7-1-2-8-4/h1-2H,(H3,5,6)/p+1 |
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| InChIKey | GUFPUKZZUUVYNR-UHFFFAOYSA-O |
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| XLogP | -2.43 |
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| TPSA | 88.69 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 124.13 |
| LogP ≤ 5 | -2.43 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [amino-(imidazol-2-ylideneamino)methylidene]azanium?
The IUPAC name of [amino-(imidazol-2-ylideneamino)methylidene]azanium (CID 91130870) is [amino-(imidazol-2-ylideneamino)methylidene]azanium.
What is the SMILES notation for [amino-(imidazol-2-ylideneamino)methylidene]azanium?
The canonical SMILES for [amino-(imidazol-2-ylideneamino)methylidene]azanium is NC(=[NH2+])N=C1N=CC=N1.
What is the InChIKey of [amino-(imidazol-2-ylideneamino)methylidene]azanium?
The InChIKey is GUFPUKZZUUVYNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5N5/c5-3(6)9-4-7-1-2-8-4/h1-2H,(H3,5,6)/p+1.
What are the key properties of [amino-(imidazol-2-ylideneamino)methylidene]azanium?
[amino-(imidazol-2-ylideneamino)methylidene]azanium has a molecular weight of 124.13 g/mol, XLogP of -2.43, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(imidazol-2-ylideneamino)methylidene]azanium is sourced from PubChem (CID 91130870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).