Chemical ID: 6694068

c1cnc-2c(=O)nc(nc2[nH]1)N
Chemical ID:
6694068
Name [?]:
2-amino-8H-pteridin-4-one
SMILES [?]:
c1cnc-2c(=O)nc(nc2[nH]1)N
InChi [?]:
InChI=1/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:2,1,4,10,5,8,12,3,11,9,7,6/rA:12nCCNCCONCNCNN/rB:d1;s2;d3;s4;d5;s5;d7;s8;s4d9;s1s10;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N5O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.50492
Area:303.865
Solvation:-2.09169
Coulombic:-54.919
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:163.137
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:-1.67
LogP (Chemaxon):-0.03

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Descriptor Annotations

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