C57H48AcN23- — CID 161492018
actinium;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide;N-(1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 161492018) has the molecular formula C57H48AcN23- and a molecular weight of 1282.17 g/mol. Its IUPAC name is actinium;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide;N-(1H-pyrazol-5-yl)quinazolin-4-amine.
| Compound Name | actinium;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide;N-(1H-pyrazol-5-yl)quinazolin-4-amine |
|---|---|
| PubChem CID | 161492018 |
| Molecular Formula | C57H48AcN23- |
| Molecular Weight | 1282.17 g/mol |
| Exact Mass | 1281.47 |
| IUPAC Name | actinium;N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;2-N-phenyl-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine;[4-[[4-(1H-pyrazol-5-ylamino)quinazolin-2-yl]amino]phenyl]azanide;N-(1H-pyrazol-5-yl)quinazolin-4-amine |
| SMILES | Cc1cc(Nc2ncnc3ccccc23)n[nH]1.[Ac].[NH-]c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc(Nc2nc(Nc3ccn[nH]3)c3ccccc3n2)cc1.c1ccc2c(Nc3ccn[nH]3)ncnc2c1 |
| InChI | InChI=1S/C17H14N7.C17H14N6.C12H11N5.C11H9N5.Ac/c18-11-5-7-12(8-6-11)20-17-21-14-4-2-1-3-13(14)16(23-17)22-15-9-10-19-24-15;1-2-6-12(7-3-1)19-17-20-14-9-5-4-8-13(14)16(22-17)21-15-10-11-18-23-15;1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;1-2-4-9-8(3-1)11(13-7-12-9)15-10-5-6-14-16-10;/h1-10,18H,(H3,19,20,21,22,23,24);1-11H,(H3,18,19,20,21,22,23);2-7H,1H3,(H2,13,14,15,16,17);1-7H,(H2,12,13,14,15,16);/q-1;;;; |
| InChIKey | ALIOUDOJOYMFAC-UHFFFAOYSA-N |
| XLogP | 12.87 |
| TPSA | 313.82 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 81 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1282.17 |
| LogP ≤ 5 | 12.87 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 18 |