2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol

C17H24N6O — CID 46230175

IUPAC2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol
SMILESCN(C)c1ncc(-c2ccncc2)nc1N1CCN(CCO)CC1
InChIInChI=1S/C17H24N6O/c1-21(2)16-17(23-9-7-22(8-10-23)11-12-24)20-15(13-19-16)14-3-5-18-6-4-14/h3-6,13,24H,7-12H2,1-2H3
InChIKeySRALEWJYPQQQEL-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.72
Rot. Bonds5

About 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol

2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 46230175) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol
PubChem CID46230175
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol
SMILESCN(C)c1ncc(-c2ccncc2)nc1N1CCN(CCO)CC1
InChIInChI=1S/C17H24N6O/c1-21(2)16-17(23-9-7-22(8-10-23)11-12-24)20-15(13-19-16)14-3-5-18-6-4-14/h3-6,13,24H,7-12H2,1-2H3
InChIKeySRALEWJYPQQQEL-UHFFFAOYSA-N
XLogP0.72
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol (CID 46230175) is 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol is CN(C)c1ncc(-c2ccncc2)nc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is SRALEWJYPQQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21(2)16-17(23-9-7-22(8-10-23)11-12-24)20-15(13-19-16)14-3-5-18-6-4-14/h3-6,13,24H,7-12H2,1-2H3.
What are the key properties of 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 328.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)-6-pyridin-4-ylpyrazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 46230175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).