Cas no 127480-39-1 (1,3,5-Triazin-2(1H)-one,4-amino-1-methyl-6-(methylamino)-)
127480-39-1 structure
Product Name:1,3,5-Triazin-2(1H)-one,4-amino-1-methyl-6-(methylamino)-
CAS No:127480-39-1
MF:C5H9N5O
MW:155.157859563828
CID:103149
PubChem ID:45092648
Update Time:2025-04-18
1,3,5-Triazin-2(1H)-one,4-amino-1-methyl-6-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazin-2(1H)-one,4-amino-1-methyl-6-(methylamino)-
- 1,3,5-Triazin-2(1H)-one,4-amino-1-methyl-6-(methylamino)-(9CI)
- 127480-39-1
- 4-Amino-1-methyl-6-(methylamino)-1,3,5-triazin-2(1H)-one
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- Inchi： 1S/C5H9N5O/c1-7-4-8-3(6)9-5(11)10(4)2/h1-2H3,(H3,6,7,8,9,11)
- InChI Key： YSMAPNGKDOPTIC-UHFFFAOYSA-N
- SMILES： O=C1N=C(N)N=C(NC)N1C
Computed Properties
- Exact Mass: 155.08087
- Monoisotopic Mass: 155.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 243
- 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
- Topological Polar Surface Area: 83.1A^2
- XLogP3: -1.2
Experimental Properties
- PSA: 85.83
1,3,5-Triazin-2(1H)-one,4-amino-1-methyl-6-(methylamino)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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