3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile

C12H17N5 — CID 55247646

IUPAC3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC1CCCNC1
InChIInChI=1S/C12H17N5/c13-8-11-12(17-7-6-15-11)16-5-3-10-2-1-4-14-9-10/h6-7,10,14H,1-5,9H2,(H,16,17)
InChIKeyTXUCKBORABVDML-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.15
Rot. Bonds4

About 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile

3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile (PubChem CID 55247646) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
PubChem CID55247646
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCC1CCCNC1
InChIInChI=1S/C12H17N5/c13-8-11-12(17-7-6-15-11)16-5-3-10-2-1-4-14-9-10/h6-7,10,14H,1-5,9H2,(H,16,17)
InChIKeyTXUCKBORABVDML-UHFFFAOYSA-N
XLogP1.15
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629585
3-bromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629746
N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63629890
5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile
CID 80515689
3-(cyclooctylmethylamino)pyrazine-2-carbonitrile
CID 133283842
3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55104640
3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 113413746
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
3-(2-piperazin-1-ylethylamino)pyrazine-2-carbonitrile
CID 62671831
5-methoxy-N-(2-piperidin-3-ylethyl)isoquinolin-1-amine
CID 106540594
3-[ethyl(piperidin-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 106643570
2-cyano-N-(2-pyrrolidin-3-ylethyl)pyridine-3-sulfonamide
CID 106598475

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile (CID 55247646) is 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCCC1CCCNC1.
What is the InChIKey of 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
The InChIKey is TXUCKBORABVDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c13-8-11-12(17-7-6-15-11)16-5-3-10-2-1-4-14-9-10/h6-7,10,14H,1-5,9H2,(H,16,17).
What are the key properties of 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile?
3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 55247646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).