ChemDB: Chemical Search
Download
Chemical ID: 4726426
Chemical ID:
4726426
Name [?]:
2-(2,5-dimethylpyrrol-1-yl)pyrazine
SMILES [?]:
Cc1ccc(n1c2cnccn2)C
InChi [?]:
InChI=1/C10H11N3/c1-8-3-4-9(2)13(8)10-7-11-5-6-12-10/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,4,10,11,8,2,5,7,9,12,6/E:(1,2)(3,4)(8,9)/rA:13nCCCCCNCCNCCNC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.40868 |
Area: | 334.637 |
Solvation: | -1.95725 |
Coulombic: | -14.6784 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 173.215 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.87 |
LogP (Chemaxon): | 0.81 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|