Chemical ID: 5038025

c1c[nH]c2c1c(nc(n2)N)O
Chemical ID:
5038025
Name [?]:
3-amino-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-ol
SMILES [?]:
c1c[nH]c2c1c(nc(n2)N)O
InChi [?]:
InChI=1/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,6,8,10,3,9,7,11/rA:11nCCNCCCNCNNO/rB:d1;s2;s3;s1s4;d5;s6;d7;d4s8;s8;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.27364
Area:292.438
Solvation:-2.03731
Coulombic:-55.5143
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.84
LogP (Chemaxon):1.06

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