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Chemical ID: 7968508
Chemical ID:
7968508
Name [?]:
3-aminopyrazine-2,6-dicarbonitrile
SMILES [?]:
c1c(nc(c(n1)N)C#N)C#N
InChi [?]:
InChI=1/C6H3N5/c7-1-4-3-10-6(9)5(2-8)11-4/h3H,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:10,8,1,2,4,5,11,9,7,6,3/rA:11nCCNCCNNCNCN/rB:s1;d2;s3;d4;d1s5;s5;s4;t8;s2;t10;/rC:-.0158,1.315,.0093;1.1835,2.0353,.0017;2.3467,1.3934,-.0133;2.37,.067,-.0207;1.1601,-.6544,-.0125;.0021,-.0041,.002;1.1779,-2.0347,-.0206;3.6213,-.6293,-.0374;4.6138,-1.1816,-.0506;1.1574,3.4671,.0097;1.1366,4.6029,.016;
Chemical Details
Atom Count
Formula: | C19H19N5O4S |
All Atoms: | 14 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.00969 |
Area: | 315.897 |
Solvation: | -1.88773 |
Coulombic: | -34.6183 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 145.122 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -0.03 |
LogP (Chemaxon): | -0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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