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Chemical ID: 7160427
Chemical ID:
7160427
Name [?]:
1-[1-(1-adamantyl)pyrazol-3-yl]tetrazole
SMILES [?]:
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
InChi [?]:
InChI=1/C14H18N6/c1-2-20(16-13(1)19-9-15-17-18-19)14-6-10-3-11(7-14)5-12(4-10)8-14/h1-2,9-12H,3-8H2
InChi Info:
AuxInfo=1/0/N:1,2,14,17,19,16,12,20,7,15,13,18,5,11,8,4,9,10,6,3/E:(3,4,5)(6,7,8)(10,11,12)/rA:20nCCNNCNCNNNCCCCCCCCCC/rB:d1;s2;s3;s1d4;s5;s6;d7;s8;s6d9;s3;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N6 |
All Atoms: | 38 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06777 |
Area: | 431.097 |
Solvation: | -1.70965 |
Coulombic: | -10.4102 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.36 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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