Chemical ID: 7198172

CCn1c(c(cn1)C[NH3+])C
Chemical ID:
7198172
Name [?]:
(1-ethyl-5-methyl-pyrazol-4-yl)methylammonium
SMILES [?]:
CCn1c(c(cn1)C[NH3+])C
InChi [?]:
InChI=1/C7H13N3/c1-3-10-6(2)7(4-8)5-9-10/h5H,3-4,8H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,2,8,6,4,5,9,7,3/rA:10nCCNCCCNCN+C/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14N3+
All Atoms:24
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-34.3291
Area:307.332
Solvation:-42.0124
Coulombic:42.1375
Bond Count [?]
All:10
Single:8
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:140.206
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.3
LogP (Chemaxon):-0.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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