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Chemical ID: 5848044
Chemical ID:
5848044
Name [?]:
4,6-dimethyl-N-(2H-1,2,4-triazol-3-yl)pyrimidin-2-amine
SMILES [?]:
Cc1cc(nc(n1)Nc2[nH]ncn2)C
InChi [?]:
InChI=1/C8H10N6/c1-5-3-6(2)12-8(11-5)13-7-9-4-10-14-7/h3-4H,1-2H3,(H2,9,10,11,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,3,12,2,4,9,6,13,11,7,5,8,10/E:(1,2)(5,6)(11,12)/rA:14nCCCCNCNNCNNCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;d9s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N6 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.846 |
Area: | 356.101 |
Solvation: | -2.05652 |
Coulombic: | -37.7236 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 190.205 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.7 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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