TL;DR: 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)- (CAS 143954-44-3) is a chemical compound with molecular formula C13H12N4 and molecular weight 224.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
Also Known As: 5-benzyl-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine, 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)-, 5-Benzyl-7-methyl-1,2,4-triazolo[4,3-c]pyrimidine, 5-Benzyl-7-methyl[1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C13H12N4 |
| Molecular Weight | 224.1062 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.1062 Da |
| Heavy Atoms | 17 |
| Complexity | 252.0 |
| SMILES | CC1=CC2=NN=CN2C(=N1)CC3=CC=CC=C3 |
| InChIKey | PGPXCCULVURNQV-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)-. With a topological polar surface area (TPSA) of 43.1 Ų, 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)- is 143954-44-3.
The molecular formula of 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)- is C13H12N4.
The molecular weight of 1,2,4-Triazolo[4,3-c]pyrimidine, 7-methyl-5-(phenylmethyl)- is 224.1062 g/mol.
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