5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile

C16H16ClN5 — CID 133493072

IUPAC5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C16H16ClN5/c17-15-4-2-1-3-13(15)12-21-5-7-22(8-6-21)16-11-19-14(9-18)10-20-16/h1-4,10-11H,5-8,12H2
InChIKeyWMPITCVUQTVKBZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.32
Rot. Bonds3

About 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133493072) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133493072
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(Cc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C16H16ClN5/c17-15-4-2-1-3-13(15)12-21-5-7-22(8-6-21)16-11-19-14(9-18)10-20-16/h1-4,10-11H,5-8,12H2
InChIKeyWMPITCVUQTVKBZ-UHFFFAOYSA-N
XLogP2.32
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290515
5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290153
5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 63659628
5-[4-[(2,5-dichlorophenyl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133485338
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856451
3-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279898
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 163344110

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 133493072) is 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCN(Cc3ccccc3Cl)CC2)cn1.
What is the InChIKey of 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is WMPITCVUQTVKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-15-4-2-1-3-13(15)12-21-5-7-22(8-6-21)16-11-19-14(9-18)10-20-16/h1-4,10-11H,5-8,12H2.
What are the key properties of 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 313.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133493072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).