Chemical ID: 4585529

c1nc2c(n3c(c2c(=O)n1CCC#N)CCC3)C#N
Chemical ID:
4585529
Name [?]:
None
SMILES [?]:
c1nc2c(n3c(c2c(=O)n1CCC#N)CCC3)C#N
InChi [?]:
InChI=1/C13H11N5O/c14-4-2-5-17-8-16-12-10(7-15)18-6-1-3-9(18)11(12)13(17)19/h8H,1-3,5-6H2
InChi Info:
AuxInfo=1/0/N:16,12,15,13,11,17,18,1,6,4,7,3,8,14,19,2,10,5,9/rA:19nCNCCNCCCONCCCNCCCCN/rB:d1;s2;d3;s4;s5;s3d6;s7;d8;s1s8;s10;s11;s12;t13;s6;s15;s5s16;s4;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N5O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.4202
Area:452.028
Solvation:-2.88051
Coulombic:-32.7864
Bond Count [?]
All:21
Single:15
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:253.26
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.22
LogP (Chemaxon):-0.22

Name Annotations

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Descriptor Annotations

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