Cas no 1196152-03-0 (3,5-diaminopyridine-2-carbonitrile)
1196152-03-0 structure
Product Name:3,5-diaminopyridine-2-carbonitrile
CAS No:1196152-03-0
MF:C6H6N4
MW:134.13863992691
CID:2616484
PubChem ID:20310494
Update Time:2025-04-21
3,5-diaminopyridine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3,5-diaminopyridine-2-carbonitrile
- AB54927
- 3,5-DIAMINOPICOLINONITRILE
- AKOS006310241
- 1196152-03-0
- SCHEMBL11614947
-
- Inchi： 1S/C6H6N4/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,8-9H2
- InChI Key： YUJIMZVDTNCSEI-UHFFFAOYSA-N
- SMILES： N1C=C(C=C(C=1C#N)N)N
Computed Properties
- Exact Mass: 134.059246208Da
- Monoisotopic Mass: 134.059246208Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 158
- 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: 0.1
- Topological Polar Surface Area: 88.7?2
3,5-diaminopyridine-2-carbonitrile Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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