Chemical ID: 4515583

Cn1c2c([nH]c1=O)nncn2
Chemical ID:
4515583
Name [?]:
9-methyl-2,4,5,7,9-pentazabicyclo[4.3.0]nona-1,3,5-trien-8-one
SMILES [?]:
Cn1c2c([nH]c1=O)nncn2
InChi [?]:
InChI=1/C5H5N5O/c1-10-4-3(8-5(10)11)9-7-2-6-4/h2H,1H3,(H,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,10,4,3,6,11,9,5,8,2,7/rA:11nCNCCNCONNCN/rB:s1;s2;s3;s4;s2s5;d6;d4;s8;d9;d3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.31598
Area:289.345
Solvation:-1.91766
Coulombic:-38.9759
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.126
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.58
LogP (Chemaxon):-0.31

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Descriptor Annotations

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