Chemical ID: 5667799

Cc1cc(=O)n2c(n1)[nH]nn2
Chemical ID:
5667799
Name [?]:
4-methyl-1,5,7,8,9-pentazabicyclo[4.3.0]nona-3,5,8-trien-2-one
SMILES [?]:
Cc1cc(=O)n2c(n1)[nH]nn2
InChi [?]:
InChI=1/C5H5N5O/c1-3-2-4(11)10-5(6-3)7-8-9-10/h2H,1H3,(H,6,7,9)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,7,8,9,10,11,6,5/rA:11nCCCCONCNNNN/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s6d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H5N5O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.09481
Area:291.558
Solvation:-2.19413
Coulombic:-25.0277
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:-1.48
LogP (Chemaxon):0.28

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Descriptor Annotations

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