Chemical ID: 3964526

CC(C(C1CNc2c(c(=O)nc([nH]2)N)N1)O)O
Chemical ID:
3964526
Name [?]:
2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pteridin-4-one
SMILES [?]:
CC(C(C1CNc2c(c(=O)nc([nH]2)N)N1)O)O
InChi [?]:
InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,3,7,9,12,14,6,15,13,11,17,16,10/rA:17cCCCCCNCCCONCNNNOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s9;d11;s7s12;s12;s4s8;s3;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H15N5O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:3
ZAP Information [?]
Total:5.61914
Area:401.544
Solvation:-4.41946
Coulombic:-100.178
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:241.247
H-Bond Donors:6
H-Bond Acceptors:6
XLogP:-1.33
LogP (Chemaxon):-1.3

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