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Chemical ID: 6425425
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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