Chemical ID: 4558287

c1cnc2c(n1)c(=O)[nH]c(n2)N
Chemical ID:
4558287
Name [?]:
2-amino-3H-pteridin-4-one
SMILES [?]:
c1cnc2c(n1)c(=O)[nH]c(n2)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:1,2,5,4,7,10,12,6,3,11,9,8/rA:12nCCNCCNCONCNN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N5O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.10038
Area:303.591
Solvation:-2.4894
Coulombic:-53.3297
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:-0.83
LogP (Chemaxon):-0.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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