Chemical ID: 6125020

Cc1cc(=O)n2c(n1)nc[nH]2
Chemical ID:
6125020
Name [?]:
4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-2-one
SMILES [?]:
Cc1cc(=O)n2c(n1)nc[nH]2
InChi [?]:
InChI=1/C6H6N4O/c1-4-2-5(11)10-6(9-4)7-3-8-10/h2-3H,1H3,(H,7,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,10,2,4,7,9,11,8,6,5/rA:11nCCCCONCNNCN/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;d9;s6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.03344
Area:292.698
Solvation:-2.28401
Coulombic:-32.4096
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.71
LogP (Chemaxon):-0.47

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