46X
Summary
| Name: | 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile |
| Formula: | C8 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 177.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile |
| OpenEye OEToolkits | 1.9.2 | 3-azanyl-5-pyrrolidin-1-yl-1H-pyrazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc2c(N1CCCC1)nnc2N |
| InChI | InChI | 1.03 | InChI=1S/C8H11N5/c9-5-6-7(10)11-12-8(6)13-3-1-2-4-13/h1-4H2,(H3,10,11,12) |
| InChIKey | InChI | 1.03 | RQDSNKYYHIZWJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1n[nH]c(N2CCCC2)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1n[nH]c(N2CCCC2)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CCN(C1)c2c(c(n[nH]2)N)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CCN(C1)c2c(c(n[nH]2)N)C#N |
