Chemical ID: 4186121

CC(C)C=C1CCCCC1=Nn2cnnc2
Chemical ID:
4186121
Name [?]:
2-(2-methylpropylidene)-N-(1,2,4-triazol-4-yl)cyclohexan-1-imine
SMILES [?]:
CC(C)C=C1CCCCC1=Nn2cnnc2
InChi [?]:
InChI=1/C12H18N4/c1-10(2)7-11-5-3-4-6-12(11)15-16-8-13-14-9-16/h7-10H,3-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,8,6,9,4,13,16,2,5,10,14,15,11,12/E:(1,2)(8,9)(13,14)/rA:16nCCCCCCCCCCNNCNNC/rB:s1;s2;s2;w4;s5;s6;s7;s8;s5s9;w10;s11;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.9182
Area:385.341
Solvation:-1.71532
Coulombic:-9.37499
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:218.298
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.71
LogP (Chemaxon):1.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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