Chemical ID: 7196835

Cc1c(cnn1C)S(=O)(=O)N2CC[NH2+]CC2
Chemical ID:
7196835
Name [?]:
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-2,3,5,6-tetrahydropyrazine
SMILES [?]:
Cc1c(cnn1C)S(=O)(=O)N2CC[NH2+]CC2
InChi [?]:
InChI=1/C9H16N4O2S/c1-8-9(7-11-12(8)2)16(14,15)13-5-3-10-4-6-13/h7,10H,3-6H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,7,13,15,12,16,4,2,3,14,5,6,11,9,10,8/E:(3,4)(5,6)(14,15)/CRV:16.6/rA:16nCCCCNNCSOONCCN+CC/rB:s1;d2;s3;d4;s2s5;s6;s3;d8;d8;s8;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17N4O2S+
All Atoms:33
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-28.9058
Area:391.928
Solvation:-38.704
Coulombic:28.5944
Bond Count [?]
All:17
Single:13
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:245.323
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.76
LogP (Chemaxon):-1.1

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