TL;DR: 1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)- (CAS 15821-36-0) is a chemical compound with molecular formula C7H11N5 and molecular weight 165.10144 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-but-3-enyl-1,3,5-triazine-2,4-diamine
Also Known As: 1,3,5-Triazine-2,4-diamine, 6-(3-butenyl)-, 6-(But-3-en-1-yl)-1,3,5-triazine-2,4-diamine, KST-1B0766, 6-but-3-enyl-1,3,5-triazine-2,4-diamine, s-Triazine, 2,4-diamino-6-(3-butenyl)-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H11N5 |
| Molecular Weight | 165.10144 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.10144 Da |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
| SMILES | C=CCCC1=NC(=NC(=N1)N)N |
| InChIKey | NUIMPSFZBALNHW-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)-. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)-. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)- is 15821-36-0.
The molecular formula of 1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)- is C7H11N5.
The molecular weight of 1,3,5-Triazine-2,4-diamine, 6-(3-buten-1-yl)- is 165.10144 g/mol.
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