Chemical ID: 6425425

Cn1c(=O)c2c([nH]c1=O)nccn2
Chemical ID:
6425425
Name [?]:
3-methyl-1H-pteridine-2,4-dione
SMILES [?]:
Cn1c(=O)c2c([nH]c1=O)nccn2
InChi [?]:
InChI=1/C7H6N4O2/c1-11-6(12)4-5(10-7(11)13)9-3-2-8-4/h2-3H,1H3,(H,9,10,13)
InChi Info:
AuxInfo=1/1/N:1,12,11,5,6,3,8,13,10,7,2,4,9/rA:13nCNCOCCNCONCCN/rB:s1;s2;d3;s3;s5;s6;s2s7;d8;d6;s10;d11;d5s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N4O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.41437
Area:317.292
Solvation:-2.51793
Coulombic:-49.2604
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.148
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.58
LogP (Chemaxon):-0.4

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