5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile

C14H15N5S — CID 133290153

IUPAC5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C14H15N5S/c15-8-12-9-17-14(10-16-12)19-5-3-18(4-6-19)11-13-2-1-7-20-13/h1-2,7,9-10H,3-6,11H2
InChIKeyROBSRYWFUIQSHB-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.73
Rot. Bonds3

About 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133290153) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133290153
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C14H15N5S/c15-8-12-9-17-14(10-16-12)19-5-3-18(4-6-19)11-13-2-1-7-20-13/h1-2,7,9-10H,3-6,11H2
InChIKeyROBSRYWFUIQSHB-UHFFFAOYSA-N
XLogP1.73
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133290153) is 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCN(Cc3cccs3)CC2)cn1.
What is the InChIKey of 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is ROBSRYWFUIQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c15-8-12-9-17-14(10-16-12)19-5-3-18(4-6-19)11-13-2-1-7-20-13/h1-2,7,9-10H,3-6,11H2.
What are the key properties of 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 285.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133290153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).