Chemical ID: 7121854

c1cc(cnc1)C[NH+]2CC[NH2+]CC2
Chemical ID:
7121854
Name [?]:
1-(3-pyridylmethyl)-2,3,5,6-tetrahydropyrazine
SMILES [?]:
c1cc(cnc1)C[NH+]2CC[NH2+]CC2
InChi [?]:
InChI=1/C10H15N3/c1-2-10(8-12-3-1)9-13-6-4-11-5-7-13/h1-3,8,11H,4-7,9H2/p+2
InChi Info:
AuxInfo=1/1/N:1,2,6,10,12,9,13,4,7,3,11,5,8/E:(4,5)(6,7)/rA:13nCCCCNCCN+CCN+CC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s11;s8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H17N3+2
All Atoms:30
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-103.614
Area:345.891
Solvation:-112.261
Coulombic:118.191
Bond Count [?]
All:14
Single:11
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:179.262
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:-0.07
LogP (Chemaxon):0.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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