MLS003115928
5-[[(5-amino-1-benzyltriazol-4-yl)methylamino]methyl]-3-benzyltriazol-4-amine
Also Known As: 1H-1,2,3-Triazole-4-methanamine, 5-amino-N-[[5-amino-1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]-1-(phenylmethyl)-|bis-(5-amino-1-benzyl-1H-[1,2,3]triazol-4-ylmethyl)-amine|5-[[(5-amino-1-benzyltriazol-4-yl)methylamino]methyl]-3-benzyltriazol-4-amine|4,4'-[Azanediylbis(methylene)]bis(1-benzyl-1H-1,2,3-triazol-5-amine)|1H-1,3-Triazole-4-methanamine, 5-amino-N-[[5-amino-1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]-1-(phenylmethyl)-
| Molecular Formula | C20H23N9 |
|---|---|
| Molecular Weight | 389.20764 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.20764 |
| Monoisotopic Mass | 389.20764 |
| Heavy Atoms | 29 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 50533-77-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)CNCC3=C(N(N=N3)CC4=CC=CC=C4)N)N |
| InChIKey | KSMOFRAWZHFPQK-UHFFFAOYSA-N |
Product Overview
MLS003115928 (CAS 50533-77-2), with molecular formula C20H23N9 and molecular weight 389.20764 g/mol. IUPAC: 5-[[(5-amino-1-benzyltriazol-4-yl)methylamino]methyl]-3-benzyltriazol-4-amine.
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