Chemical ID: 5280135

COCCN1CNC(=NC1)Nc2nc3ccccc3o2
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

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Descriptor Annotations

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