Chemical ID: 4081779

CNc1c2c(nc(n1)N)non2
Chemical ID:
4081779
Name [?]:
N-methyl-8-oxa-3,5,7,9-tetrazabicyclo[4.3.0]nona-2,4,6,9-tetraene-2,4-diamine
SMILES [?]:
CNc1c2c(nc(n1)N)non2
InChi [?]:
InChI=1/C5H6N6O/c1-7-3-2-4(11-12-10-2)9-5(6)8-3/h1H3,(H3,6,7,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,9,2,8,6,12,10,11/rA:12nCNCCCNCNNNON/rB:s1;s2;s3;s4;s5;d6;d3s7;s7;d5;s10;d4s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H6N6O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.54259
Area:312.561
Solvation:-1.27145
Coulombic:-44.1356
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:166.141
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:0.86
LogP (Chemaxon):0.18

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Descriptor Annotations

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