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Chemical ID: 7162739
Chemical ID:
7162739
Name [?]:
1-(1,3-dimethylpyrazol-4-yl)tetrazole
SMILES [?]:
Cc1c(cn(n1)C)n2cnnn2
InChi [?]:
InChI=1/C6H8N6/c1-5-6(3-11(2)8-5)12-4-7-9-10-12/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,4,9,2,3,10,6,11,12,5,8/rA:12nCCCCNNCNCNNN/rB:s1;s2;d3;s4;d2s5;s5;s3;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8N6 |
All Atoms: | 20 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.58086 |
Area: | 319.917 |
Solvation: | -2.41706 |
Coulombic: | -7.09382 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 164.168 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | -0.37 |
LogP (Chemaxon): | -0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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