2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine

C17H21N5 — CID 143990035

IUPAC2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine
SMILESC=C(c1cnc(C)c(C)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H21N5/c1-13-10-16(11-20-14(13)2)15(3)21-6-8-22(9-7-21)17-12-18-4-5-19-17/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyQBGBLUVHDWTLRK-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.28
Rot. Bonds3

About 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine

2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine (PubChem CID 143990035) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine
PubChem CID143990035
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine
SMILESC=C(c1cnc(C)c(C)c1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H21N5/c1-13-10-16(11-20-14(13)2)15(3)21-6-8-22(9-7-21)17-12-18-4-5-19-17/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyQBGBLUVHDWTLRK-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
4-pyrazin-2-yl-N-(2,4,5-trimethylphenyl)piperazine-1-carboxamide
CID 23740362
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
2-(4-methylsulfanylpiperazin-1-yl)pyrazine
CID 142028272
N-(3,5-dimethylphenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 23605252
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine
CID 143263223
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine (CID 143990035) is 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine is C=C(c1cnc(C)c(C)c1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine?
The InChIKey is QBGBLUVHDWTLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-13-10-16(11-20-14(13)2)15(3)21-6-8-22(9-7-21)17-12-18-4-5-19-17/h4-5,10-12H,3,6-9H2,1-2H3.
What are the key properties of 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine?
2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine has a molecular weight of 295.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 143990035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).