5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile

C12H16N4 — CID 167443488

IUPAC5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile
SMILESCCc1cnc(C#N)c(N2CCNCC2)c1
InChIInChI=1S/C12H16N4/c1-2-10-7-12(11(8-13)15-9-10)16-5-3-14-4-6-16/h7,9,14H,2-6H2,1H3
InChIKeySBSFHHWTRXBHRK-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.93
Rot. Bonds2

About 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile

5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile (PubChem CID 167443488) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile
PubChem CID167443488
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile
SMILESCCc1cnc(C#N)c(N2CCNCC2)c1
InChIInChI=1S/C12H16N4/c1-2-10-7-12(11(8-13)15-9-10)16-5-3-14-4-6-16/h7,9,14H,2-6H2,1H3
InChIKeySBSFHHWTRXBHRK-UHFFFAOYSA-N
XLogP0.93
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile?
The IUPAC name of 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile (CID 167443488) is 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile.
What is the SMILES notation for 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile?
The canonical SMILES for 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile is CCc1cnc(C#N)c(N2CCNCC2)c1.
What is the InChIKey of 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile?
The InChIKey is SBSFHHWTRXBHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-10-7-12(11(8-13)15-9-10)16-5-3-14-4-6-16/h7,9,14H,2-6H2,1H3.
What are the key properties of 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile?
5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-piperazin-1-ylpyridine-2-carbonitrile is sourced from PubChem (CID 167443488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).