Chemical ID: 5286376

CC(C)(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)C
Chemical ID:
5286376
Name [?]:
None
SMILES [?]:
CC(C)(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)C
InChi [?]:
InChI=1/C17H19N5O2/c1-17(2,3)20-15(23)10-9-11-14(21(4)13(10)18)19-12-7-5-6-8-22(12)16(11)24/h5-9,18H,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,15,16,14,17,9,8,10,13,22,11,6,19,2,23,12,5,21,18,7,20/E:(1,2,3)/rA:24nCCCCNCOCCCCNCCCCCNCONCNC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;d10;s11;d12;s13;d14;s15;d16;s13s17;s10s18;d19;s11;s8s21;w22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N5O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2002
Area:506.085
Solvation:-2.4519
Coulombic:-61.7305
Bond Count [?]
All:26
Single:18
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:325.365
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.18
LogP (Chemaxon):1.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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