Chemical ID: 6506990

c1cnccc1c2cnc3cc(nn3c2)O
Chemical ID:
6506990
Name [?]:
4-(4-pyridyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-ol
SMILES [?]:
c1cnccc1c2cnc3cc(nn3c2)O
InChi [?]:
InChI=1/C11H8N4O/c16-11-5-10-13-6-9(7-15(10)14-11)8-1-3-12-4-2-8/h1-7H,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,8,15,6,7,10,12,3,9,13,14,16/E:(1,2)(3,4)/rA:16nCCNCCCCCNCCCNNCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s11;d12;s10s13;d7s14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8N4O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.17923
Area:379.917
Solvation:-3.3187
Coulombic:-30.4067
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.208
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:0.84
LogP (Chemaxon):1.71

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Descriptor Annotations

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