Chemical ID: 7968508

c1c(nc(c(n1)N)C#N)C#N
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

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