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Chemical ID: 7122177

Chemical ID:

7122177

Name [?]:

(4-cyclohexyl-2,3,5,6-tetrahydropyrazin-1-yl)-(4-pyridyl)methanone

SMILES [?]:

c1cnccc1C(=O)N2CC[NH+](CC2)C3CCCCC3

InChi [?]:

InChI=1/C16H23N3O/c20-16(14-6-8-17-9-7-14)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13H2/p+1

InChi Info:

AuxInfo=1/1/N:18,17,19,16,20,1,5,2,4,11,13,10,14,6,15,7,3,12,9,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:20nCCNCCCCONCCN+CCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₂₄N₃O+
All Atoms:	44
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.504
Area:	462.653
Solvation:	-32.0704
Coulombic:	8.85161

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	274.381
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.79
LogP (Chemaxon):	1.27

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value