About 1,2,3-triamino-1-prop-2-ynylguanidine
1,2,3-triamino-1-prop-2-ynylguanidine (PubChem CID 155130421) has the molecular formula C4H10N6
and a molecular weight of 142.17 g/mol. Its IUPAC name is 1,2,3-triamino-1-prop-2-ynylguanidine.
Molecular Properties
| Compound Name | 1,2,3-triamino-1-prop-2-ynylguanidine |
|---|
| PubChem CID | 155130421 |
|---|
| Molecular Formula | C4H10N6 |
|---|
| Molecular Weight | 142.17 g/mol |
|---|
| Exact Mass | 142.10 |
|---|
| IUPAC Name | 1,2,3-triamino-1-prop-2-ynylguanidine |
|---|
| SMILES | C#CCN(N)/C(=N/N)NN |
|---|
| InChI | InChI=1S/C4H10N6/c1-2-3-10(7)4(8-5)9-6/h1H,3,5-7H2,(H,8,9) |
|---|
| InChIKey | MXQOSKUFTXXAJU-UHFFFAOYSA-N |
|---|
| XLogP | -2.51 |
|---|
| TPSA | 105.69 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 142.17 |
| LogP ≤ 5 | -2.51 |
| 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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze 1,2,3-triamino-1-prop-2-ynylguanidine 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 1,2,3-triamino-1-prop-2-ynylguanidine?
The IUPAC name of 1,2,3-triamino-1-prop-2-ynylguanidine (CID 155130421) is 1,2,3-triamino-1-prop-2-ynylguanidine.
What is the SMILES notation for 1,2,3-triamino-1-prop-2-ynylguanidine?
The canonical SMILES for 1,2,3-triamino-1-prop-2-ynylguanidine is C#CCN(N)/C(=N/N)NN.
What is the InChIKey of 1,2,3-triamino-1-prop-2-ynylguanidine?
The InChIKey is MXQOSKUFTXXAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6/c1-2-3-10(7)4(8-5)9-6/h1H,3,5-7H2,(H,8,9).
What are the key properties of 1,2,3-triamino-1-prop-2-ynylguanidine?
1,2,3-triamino-1-prop-2-ynylguanidine has a molecular weight of 142.17 g/mol, XLogP of -2.51, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triamino-1-prop-2-ynylguanidine is sourced from PubChem (CID 155130421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).