Chemical ID: 7160427

c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue