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Chemical ID: 7162580
Chemical ID:
7162580
Name [?]:
1-(1,3,5-trimethylpyrazol-4-yl)tetrazole
SMILES [?]:
Cc1c(c(n(n1)C)C)n2cnnn2
InChi [?]:
InChI=1/C7H10N6/c1-5-7(6(2)12(3)9-5)13-4-8-10-11-13/h4H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,7,10,2,4,3,11,6,12,13,5,9/rA:13nCCCCNNCCNCNNN/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;s9;d10;s11;s9d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N6 |
All Atoms: | 23 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30604 |
Area: | 339.767 |
Solvation: | -2.18813 |
Coulombic: | -7.31959 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.195 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | -0.14 |
LogP (Chemaxon): | -0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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