5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile

C17H19N5 — CID 133290739

IUPAC5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1cccc(N2CCN(c3cnc(C#N)cn3)CC2)c1C
InChIInChI=1S/C17H19N5/c1-13-4-3-5-16(14(13)2)21-6-8-22(9-7-21)17-12-19-15(10-18)11-20-17/h3-5,11-12H,6-9H2,1-2H3
InChIKeyUSIPSPVMOUTTJI-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.29
Rot. Bonds2

About 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133290739) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133290739
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1cccc(N2CCN(c3cnc(C#N)cn3)CC2)c1C
InChIInChI=1S/C17H19N5/c1-13-4-3-5-16(14(13)2)21-6-8-22(9-7-21)17-12-19-15(10-18)11-20-17/h3-5,11-12H,6-9H2,1-2H3
InChIKeyUSIPSPVMOUTTJI-UHFFFAOYSA-N
XLogP2.29
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carbonitrile
CID 63659628
5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493080
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110383480
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273559
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275056
5-chloro-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine
CID 155942484
5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290837
5-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493072
5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290515
5-(2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 63660506
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291320

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133290739) is 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile is Cc1cccc(N2CCN(c3cnc(C#N)cn3)CC2)c1C.
What is the InChIKey of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is USIPSPVMOUTTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13-4-3-5-16(14(13)2)21-6-8-22(9-7-21)17-12-19-15(10-18)11-20-17/h3-5,11-12H,6-9H2,1-2H3.
What are the key properties of 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133290739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).