5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile

C15H16N6 — CID 133290515

IUPAC5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C15H16N6/c16-8-14-10-19-15(11-18-14)21-6-4-20(5-7-21)12-13-2-1-3-17-9-13/h1-3,9-11H,4-7,12H2
InChIKeyKIRFSBKQVSJFNO-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.07
Rot. Bonds3

About 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133290515) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133290515
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C15H16N6/c16-8-14-10-19-15(11-18-14)21-6-4-20(5-7-21)12-13-2-1-3-17-9-13/h1-3,9-11H,4-7,12H2
InChIKeyKIRFSBKQVSJFNO-UHFFFAOYSA-N
XLogP1.07
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133369865
5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290153
5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493072
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxaline
CID 33378276
5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 63659628
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493080
6-methoxy-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 1454336
2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 38506453

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133290515) is 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCN(Cc3cccnc3)CC2)cn1.
What is the InChIKey of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is KIRFSBKQVSJFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-8-14-10-19-15(11-18-14)21-6-4-20(5-7-21)12-13-2-1-3-17-9-13/h1-3,9-11H,4-7,12H2.
What are the key properties of 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 280.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133290515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).