2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine

C18H23N5 — CID 143263223

IUPAC2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine
SMILESC=C(C)c1ncc(CN2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H23N5/c1-14(2)18-15(3)10-16(11-21-18)13-22-6-8-23(9-7-22)17-12-19-4-5-20-17/h4-5,10-12H,1,6-9,13H2,2-3H3
InChIKeyZXYZOGIBPSIERA-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.54
Rot. Bonds4

About 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine

2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine (PubChem CID 143263223) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine
PubChem CID143263223
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine
SMILESC=C(C)c1ncc(CN2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H23N5/c1-14(2)18-15(3)10-16(11-21-18)13-22-6-8-23(9-7-22)17-12-19-4-5-20-17/h4-5,10-12H,1,6-9,13H2,2-3H3
InChIKeyZXYZOGIBPSIERA-UHFFFAOYSA-N
XLogP2.54
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-ethynyl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine
CID 166385398
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
3,5-dimethyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-4-one
CID 135106422
2-[4-[1-(5,6-dimethyl-3-pyridinyl)ethenyl]piperazin-1-yl]pyrazine
CID 143990035
7-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 18167928
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146820
2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309595
5-methyl-2-(3-methylthiophen-2-yl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 31193569
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
N-(5-fluoro-2-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167910
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine (CID 143263223) is 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine is C=C(C)c1ncc(CN2CCN(c3cnccn3)CC2)cc1C.
What is the InChIKey of 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is ZXYZOGIBPSIERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14(2)18-15(3)10-16(11-21-18)13-22-6-8-23(9-7-22)17-12-19-4-5-20-17/h4-5,10-12H,1,6-9,13H2,2-3H3.
What are the key properties of 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine?
2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 309.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-6-prop-1-en-2-yl-3-pyridinyl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 143263223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).