Chemical ID: 4925794

CC12CCC(=O)N1c3cncnc3N2
Chemical ID:
4925794
Name [?]:
None
SMILES [?]:
CC12CCC(=O)N1c3cncnc3N2
InChi [?]:
InChI=1/C9H10N4O/c1-9-3-2-7(14)13(9)6-4-10-5-11-8(6)12-9/h4-5H,2-3H2,1H3,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,3,9,11,8,5,13,2,10,12,14,7,6/rA:14cCCCCCONCCNCNCN/rB:s1;s2;s3;s4;d5;s2s5;s7;s8;d9;s10;d11;d8s12;s2s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N4O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.7742
Area:333.754
Solvation:-2.56965
Coulombic:-36.0889
Bond Count [?]
All:16
Single:12
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:190.202
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.14
LogP (Chemaxon):0.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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