2-(4-Ethylpiperazino)isonicotinonitrile - CAS 1017028-13-5
Catalog: |
BB065563 |
Product Name: |
2-(4-Ethylpiperazino)isonicotinonitrile |
CAS: |
1017028-13-5 |
Synonyms: |
2-(4-Ethyl-1-piperazinyl)-4-pyridinecarbonitrile |
IUPAC Name: | 2-(4-ethylpiperazin-1-yl)pyridine-4-carbonitrile |
Description: | 2-(4-Ethylpiperazino)isonicotinonitrile |
Molecular Weight: | 216.28 |
Molecular Formula: | C12H16N4 |
Canonical SMILES: | CCN1CCN(CC1)C2=NC=CC(=C2)C#N |
InChI: | InChI=1S/C12H16N4/c1-2-15-5-7-16(8-6-15)12-9-11(10-13)3-4-14-12/h3-4,9H,2,5-8H2,1H3 |
InChI Key: | NFIPWUNGOSCXHY-UHFFFAOYSA-N |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.137496527 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.137496527 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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