Chemical ID: 6489710

CCn1c2cc(nc(c2c(n1)N)O)O
Chemical ID:
6489710
Name [?]:
7-amino-9-ethyl-4,8,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene-3,5-diol
SMILES [?]:
CCn1c2cc(nc(c2c(n1)N)O)O
InChi [?]:
InChI=1/C8H10N4O2/c1-2-12-4-3-5(13)10-8(14)6(4)7(9)11-12/h3H,2H2,1H3,(H2,9,11)(H2,10,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,9,10,8,12,7,11,3,14,13/rA:14nCCNCCCNCCCNNOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3d10;s10;s8;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N4O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.40204
Area:351.335
Solvation:-3.38133
Coulombic:-58.603
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.191
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:1.28
LogP (Chemaxon):1.49

Name Annotations

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Descriptor Annotations

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