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Chemical ID: 5280135
Chemical ID:
5280135
Name [?]:
N-[5-(2-methoxyethyl)-4,6-dihydro-1H-1,3,5-triazin-2-yl]benzooxazol-2-amine
SMILES [?]:
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
InChi [?]:
InChI=1/C13H17N5O2/c1-19-7-6-18-8-14-12(15-9-18)17-13-16-10-4-2-3-5-11(10)20-13/h2-5H,6-9H2,1H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,4,3,6,10,14,19,8,12,7,9,13,11,5,2,20/E:(8,9)(14,15)/rA:20cCOCCNCNCNCNCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N5O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.33441 |
Area: | 468.545 |
Solvation: | -5.37921 |
Coulombic: | -54.8462 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.05 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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