Chemical ID: 5081019

c1nc2c(c(n1)O)nnc(n2)N
Chemical ID:
5081019
Name [?]:
3-amino-2,4,5,8,10-pentazabicyclo[4.4.0]deca-2,4,6,8,10-pentaen-7-ol
SMILES [?]:
c1nc2c(c(n1)O)nnc(n2)N
InChi [?]:
InChI=1/C5H4N6O/c6-5-9-3-2(10-11-5)4(12)8-1-7-3/h1H,(H3,6,7,8,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,10,12,2,6,11,8,9,7/rA:12nCNCCCNONNCNN/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s9;s3d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N6O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.3094
Area:302.989
Solvation:-2.26533
Coulombic:-54.6248
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:164.125
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:-1.44
LogP (Chemaxon):-0.97

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