TL;DR: 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE (CAS 1025579-62-7) is a chemical compound with molecular formula C10H10N8 and molecular weight 242.10284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile
Also Known As: 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE, 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(2H-tetrazol-5-yl)prop-2-enenitrile, 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(1H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile, 3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(2H-1,2,3,4-tetrazol-5-yl)prop-2-enenitrile, C10H10N8
| Molecular Formula | C10H10N8 |
| Molecular Weight | 242.10284 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.10284 Da |
| Heavy Atoms | 18 |
| Complexity | 348.0 |
| SMILES | CC1=CC(=NC(=N1)NC=C(C#N)C2=NNN=N2)C |
| InChIKey | KKAQVPUZXVEFND-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE is 1025579-62-7.
The molecular formula of 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE is C10H10N8.
The molecular weight of 2-(2H-2,3,4,5-TETRAAZOLYL)-3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)PROP-2-ENENITRILE is 242.10284 g/mol.
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