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Chemical ID: 4685756

Chemical ID:

4685756

Name [?]:

5-phenyl-1-(1-pyrazol-1-ylcyclohexyl)-tetrazole

SMILES [?]:

c1ccc(cc1)c2nnnn2C3(CCCCC3)n4cccn4

InChi [?]:

InChI=1/C16H18N6/c1-3-8-14(9-4-1)15-18-19-20-22(15)16(10-5-2-6-11-16)21-13-7-12-17-21/h1,3-4,7-9,12-13H,2,5-6,10-11H2

InChi Info:

AuxInfo=1/0/N:1,15,2,6,14,16,20,3,5,13,17,21,19,4,7,12,22,8,9,10,18,11/E:(3,4)(5,6)(8,9)(10,11)/rA:22nCCCCCCCNNNNCCCCCCNCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;s13;s14;s15;s12s16;s12;s18;d19;s20;s18d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₈N₆
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.53585
Area:	442.307
Solvation:	-1.52183
Coulombic:	-13.1742

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	294.355
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.32
LogP (Chemaxon):	3.71

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value