| Canonical Smiles | CC1=CC(=NN1C(C)C)N |
|---|---|
| IUPAC Name | 5-methyl-1-propan-2-ylpyrazol-3-amine |
| InChIKey | YRVDRQBBMHLPLD-UHFFFAOYSA-N |
| INCHI | 1S/C7H13N3/c1-5(2)10-6(3)4-7(8)9-10/h4-5H,1-3H3,(H2,8,9) |
| Isomeric SMILES | CC1=CC(=NN1C(C)C)N |
| PubChem CID | 7176029 |
| Molecular Weight | 139.202 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidolactams |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidolactams |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Imidolactam - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 139.200 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 139.111 Da |
| Monoisotopic Mass | 139.111 Da |
| Topological Polar Surface Area | 43.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 113.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
