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Chemical ID: 7098190

Chemical ID:

7098190

Name [?]:

4-[[1-(2-methoxyethyl)tetrazol-5-yl]-pyrrolidin-1-yl-methyl]pyridine

SMILES [?]:

COCCn1c(nnn1)C(c2ccncc2)N3CCCC3

InChi [?]:

InChI=1/C14H20N6O/c1-21-11-10-20-14(16-17-18-20)13(19-8-2-3-9-19)12-4-6-15-7-5-12/h4-7,13H,2-3,8-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,19,20,12,16,13,15,18,21,4,3,11,10,6,14,7,8,9,17,5,2/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCOCCNCNNNCCCCNCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s5d8;s6;s10;s11;d12;s13;d14;d11s15;s10;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₀N₆O
All Atoms:	41
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.28201
Area:	485.47
Solvation:	-3.85475
Coulombic:	-22.5131

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	288.348
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	-0.58
LogP (Chemaxon):	0.22

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