Chemical ID: 5240638

c1ccc2c(c1)nc(c3n2nnn3)CC(=O)NCCO
Chemical ID:
5240638
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc(c3n2nnn3)CC(=O)NCCO
InChi [?]:
InChI=1/C12H12N6O2/c19-6-5-13-11(20)7-9-12-15-16-17-18(12)10-4-2-1-3-8(10)14-9/h1-4,19H,5-7H2,(H,13,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,19,14,5,8,4,15,9,17,7,13,12,11,10,20,16/rA:20nCCCCCCNCCNNNNCCONCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s4s9;s10;d11;d9s12;s8;s14;d15;s15;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N6O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.6042
Area:457.535
Solvation:-3.83417
Coulombic:-46.9906
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.263
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-1.65
LogP (Chemaxon):0.6

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Descriptor Annotations

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