Cas no 61939-60-4 (5-methyl-3-(4-methylpiperazin-1-yl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine)
![5-methyl-3-(4-methylpiperazin-1-yl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine structure](https://ossimg.kuujia.com/scimg/62000/61939-60-4x500.png)
61939-60-4 structure
Product Name:5-methyl-3-(4-methylpiperazin-1-yl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine
CAS No:61939-60-4
MF:C16H18N6O3
MW:342.352522373199
CID:1632811
PubChem ID:6410484
Update Time:2025-04-21
5-methyl-3-(4-methylpiperazin-1-yl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-3-(4-methylpiperazin-1-yl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine
- 5-Methyl-3-(4-methyl-1-piperazinyl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine
- 5-methyl-3-(4-methylpiperazin-1-yl)-8-nitropyridazino[3,4-b][1,4]benzoxazine
- 2-(4-Methyl-1-piperazinyl)-7-nitro-10-methyl-3,4-diazaphenoxazine
- 5H-Pyridazino(3,4-b)(1,4)benzoxazine, 5-methyl-3-(4-methyl-1-piperazinyl)-8-nitro-
- 61939-60-4
- DTXSID10210971
- 5-Methyl-3-(4-methyl-1-piperazinyl)-8-nitro-5H-pyridazino(3,4-b)(1,4)benzoxazine
- DB-306789
-
- Inchi： 1S/C16H18N6O3/c1-19-5-7-21(8-6-19)15-10-13-16(18-17-15)25-14-9-11(22(23)24)3-4-12(14)20(13)2/h3-4,9-10H,5-8H2,1-2H3
- InChI Key： LIHBWRNUCDBENQ-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=CC=2N(C)C2C1=NN=C(C=2)N1CCN(C)CC1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 342.14424
- Monoisotopic Mass: 342.14403846g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 1
- Complexity: 495
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 90.6?2
Experimental Properties
- PSA: 87.87
5-methyl-3-(4-methylpiperazin-1-yl)-8-nitro-5H-pyridazino[3,4-b][1,4]benzoxazine Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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