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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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).