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Chemical ID: 6685213
Chemical ID:
6685213
Name [?]:
4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol
SMILES [?]:
CCNc1nc(nc(n1)O)NC(C)C
InChi [?]:
InChI=1/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,13,14,2,12,4,6,8,3,11,5,9,7,10/E:(2,3)/rA:14nCCNCNCNCNONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s6;s11;s12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H15N5O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14051 |
Area: | 388.727 |
Solvation: | -1.57766 |
Coulombic: | -60.9631 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 197.238 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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