Chemical ID: 7162739

Cc1c(cn(n1)C)n2cnnn2
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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