Cas no 127480-12-0 (1,3,5-Triazin-2(1H)-one,4,6-diamino-1-methyl-)
127480-12-0 structure
Product Name:1,3,5-Triazin-2(1H)-one,4,6-diamino-1-methyl-
CAS No:127480-12-0
MF:C4H7N5O
MW:141.131279230118
CID:103150
PubChem ID:14594883
Update Time:2025-04-18
1,3,5-Triazin-2(1H)-one,4,6-diamino-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazin-2(1H)-one,4,6-diamino-1-methyl-
- 1,3,5-Triazin-2(1H)-one,4,6-diamino-1-methyl-(9CI)
- 4,6-DIAMINO-1-METHYL-1,3,5-TRIAZIN-2-ONE
- 4,6-Diamino-1-methyl-1,3,5-triazin-2(1H)-one
- AKOS006361983
- SCHEMBL12235155
- 127480-12-0
-
- Inchi： 1S/C4H7N5O/c1-9-3(6)7-2(5)8-4(9)10/h1H3,(H4,5,6,7,8,10)
- InChI Key： QVHHLQSBIGYKSY-UHFFFAOYSA-N
- SMILES： O=C1N=C(N)N=C(N)N1C
Computed Properties
- Exact Mass: 141.06521
- Monoisotopic Mass: 141.06505986g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 230
- 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: 97.1?2
Experimental Properties
- PSA: 97.07
1,3,5-Triazin-2(1H)-one,4,6-diamino-1-methyl- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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