TL;DR: Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]- (CAS 139337-65-8) is a chemical compound with molecular formula C12H13N7 and molecular weight 255.12325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
Also Known As: Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile, Benzonitrile,2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino], 2-{[4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]AMINO}BENZONITRILE
| Molecular Formula | C12H13N7 |
| Molecular Weight | 255.12325 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.12325 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | CN(C)C1=NC(=NC(=N1)NC2=CC=CC=C2C#N)N |
| InChIKey | VZJAHGKMTKHVNF-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-. Following Lipinski's Rule of Five, Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]- 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 Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]- is 139337-65-8.
The molecular formula of Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]- is C12H13N7.
The molecular weight of Benzonitrile, 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]- is 255.12325 g/mol.
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