Chemical ID: 7215150

Cn1cc(cn1)C[NH+]2CCN(CC2)C(=O)c3c(c[nH]n3)[N+](=O)[O-]
Chemical ID:
7215150
Name [?]:
[4-[(1-methylpyrazol-4-yl)methyl]-2,3,5,6-tetrahydropyrazin-1-yl]-(4-nitro-1H-pyrazol-3-yl)-methanone
SMILES [?]:
Cn1cc(cn1)C[NH+]2CCN(CC2)C(=O)c3c(c[nH]n3)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H17N7O3/c1-17-8-10(6-15-17)9-18-2-4-19(5-3-18)13(21)12-11(20(22)23)7-14-16-12/h6-8H,2-5,9H2,1H3,(H,14,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,9,13,10,12,5,18,3,7,4,17,16,14,19,6,20,2,8,11,21,15,22,23/E:(2,3)(4,5)(22,23)/CRV:20.5/rA:23nCNCCCNCN+CCNCCCOCCCNNN+OO-/rB:s1;s2;d3;s4;s2d5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;d17;s18;d16s19;s17;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N7O3+
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-29.3683
Area:502.63
Solvation:-41.934
Coulombic:-5.17152
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.327
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.2
LogP (Chemaxon):-0.5

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Descriptor Annotations

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