TL;DR: 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino- (CAS 102339-11-7) is a chemical compound with molecular formula C4H7ClN6O and molecular weight 190.03699 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-N-(2-chloroethyl)tetrazole-1-carboxamide
Also Known As: 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino-, N-(2-Chloroethyl)-5-imino-2-tetrazoline-1-carboxamide, 5-amino-N-(2-chloroethyl)tetrazole-1-carboxamide, N-(2-Chloroethyl)-5-imino-4,5-dihydro-1-(1H-tetrazolcarboxamide), 1H-Tetrazole-1-carboxamide,5-amino-N-(2-chloroethyl)-
| Molecular Formula | C4H7ClN6O |
| Molecular Weight | 190.03699 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.03699 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| SMILES | C(CCl)NC(=O)N1C(=NN=N1)N |
| InChIKey | ADOXSTLMWXMWLZ-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino-. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino-. Following Lipinski's Rule of Five, 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino- 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 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino- is 102339-11-7.
The molecular formula of 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino- is C4H7ClN6O.
The molecular weight of 2-Tetrazoline-1-carboxamide, N-(2-chloroethyl)-5-imino- is 190.03699 g/mol.
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