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Chemical ID: 7120266

Chemical ID:

7120266

Name [?]:

1-cyclopentyl-4-(4-pyridylmethyl)-2,3,5,6-tetrahydropyrazine

SMILES [?]:

c1cnccc1C[NH+]2CC[NH+](CC2)C3CCCC3

InChi [?]:

InChI=1/C15H23N3/c1-2-4-15(3-1)18-11-9-17(10-12-18)13-14-5-7-16-8-6-14/h5-8,15H,1-4,9-13H2/p+2

InChi Info:

AuxInfo=1/1/N:16,17,15,18,1,5,2,4,9,13,10,12,7,6,14,3,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:18nCCNCCCCN+CCN+CCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₅N₃₊₂
All Atoms:	43
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-93.6098
Area:	439.895
Solvation:	-104.607
Coulombic:	108.629

Bond Count [?]

All:	20
Single:	17
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	247.379
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	1.42
LogP (Chemaxon):	1.61

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