About 5-methyl-1,2-dihydrotriazol-3-amine
5-methyl-1,2-dihydrotriazol-3-amine (PubChem CID 67783750) has the molecular formula C3H8N4
and a molecular weight of 100.12 g/mol. Its IUPAC name is 5-methyl-1,2-dihydrotriazol-3-amine.
Molecular Properties
| Compound Name | 5-methyl-1,2-dihydrotriazol-3-amine |
|---|
| PubChem CID | 67783750 |
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| Molecular Formula | C3H8N4 |
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| Molecular Weight | 100.12 g/mol |
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| Exact Mass | 100.07 |
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| IUPAC Name | 5-methyl-1,2-dihydrotriazol-3-amine |
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| SMILES | CC1=CN(N)NN1 |
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| InChI | InChI=1S/C3H8N4/c1-3-2-7(4)6-5-3/h2,5-6H,4H2,1H3 |
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| InChIKey | AURFMEXSPXFIGR-UHFFFAOYSA-N |
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| XLogP | -0.95 |
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| TPSA | 53.32 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 100.12 |
| LogP ≤ 5 | -0.95 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5-methyl-1,2-dihydrotriazol-3-amine?
The IUPAC name of 5-methyl-1,2-dihydrotriazol-3-amine (CID 67783750) is 5-methyl-1,2-dihydrotriazol-3-amine.
What is the SMILES notation for 5-methyl-1,2-dihydrotriazol-3-amine?
The canonical SMILES for 5-methyl-1,2-dihydrotriazol-3-amine is CC1=CN(N)NN1.
What is the InChIKey of 5-methyl-1,2-dihydrotriazol-3-amine?
The InChIKey is AURFMEXSPXFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4/c1-3-2-7(4)6-5-3/h2,5-6H,4H2,1H3.
What are the key properties of 5-methyl-1,2-dihydrotriazol-3-amine?
5-methyl-1,2-dihydrotriazol-3-amine has a molecular weight of 100.12 g/mol, XLogP of -0.95, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-dihydrotriazol-3-amine is sourced from PubChem (CID 67783750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).