2-piperazin-1-ylpyridine-3-carbonitrile

C10H12N4 — CID 2737203

IUPAC2-piperazin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCNCC1
InChIInChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
InChIKeyQSMNQUURWIAXAA-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.36
Rot. Bonds1

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

2-piperazin-1-ylpyridine-3-carbonitrile (PubChem CID 2737203) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-piperazin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-piperazin-1-ylpyridine-3-carbonitrile
PubChem CID2737203
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-piperazin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCNCC1
InChIInChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
InChIKeyQSMNQUURWIAXAA-UHFFFAOYSA-N
XLogP0.36
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 2-piperazin-1-ylpyridine-3-carbonitrile (CID 2737203) is 2-piperazin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-piperazin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-piperazin-1-ylpyridine-3-carbonitrile is N#Cc1cccnc1N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylpyridine-3-carbonitrile?
The InChIKey is QSMNQUURWIAXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2.
What are the key properties of 2-piperazin-1-ylpyridine-3-carbonitrile?
2-piperazin-1-ylpyridine-3-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 2737203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).