Cas no 175700-80-8 (3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-methyl-)
175700-80-8 structure
Product Name:3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-methyl-
CAS No:175700-80-8
MF:C4H8N4O
MW:128.132519721985
CID:112130
PubChem ID:15345779
Update Time:2025-04-18
3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-methyl-
- 3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-methyl-(9CI)
- SCHEMBL16122817
- 3,4-diamino-2-methyl-1H-pyrazol-5-one
- SCHEMBL2955890
- AKOS006374786
- 175700-80-8
- 4,5-Diamino-1-methyl-1H-pyrazol-3(2H)-one
-
- Inchi： 1S/C4H8N4O/c1-8-3(6)2(5)4(9)7-8/h5-6H2,1H3,(H,7,9)
- InChI Key： ZZRDEHPJSKUXFN-UHFFFAOYSA-N
- SMILES： O=C1C(=C(N)N(C)N1)N
Computed Properties
- Exact Mass: 128.06994
- Monoisotopic Mass: 128.06981089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 185
- 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: -1.1
- Topological Polar Surface Area: 84.4?2
Experimental Properties
- PSA: 84.38
3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-methyl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
175700-80-8 (3H-Pyrazol-3-one,4,5-diamino-1,2-dihydro-1-methyl-) Related Products
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