5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one

C9H11N3O — CID 165444967

IUPAC5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one
SMILESO=c1cnc(C2=CCNCC2)c[nH]1
InChIInChI=1S/C9H11N3O/c13-9-6-11-8(5-12-9)7-1-3-10-4-2-7/h1,5-6,10H,2-4H2,(H,12,13)
InChIKeyQRVGBBRYMWBWHV-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.15
Rot. Bonds1

About 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one

5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one (PubChem CID 165444967) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one
PubChem CID165444967
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one
SMILESO=c1cnc(C2=CCNCC2)c[nH]1
InChIInChI=1S/C9H11N3O/c13-9-6-11-8(5-12-9)7-1-3-10-4-2-7/h1,5-6,10H,2-4H2,(H,12,13)
InChIKeyQRVGBBRYMWBWHV-UHFFFAOYSA-N
XLogP0.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one?
The IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one (CID 165444967) is 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one is O=c1cnc(C2=CCNCC2)c[nH]1.
What is the InChIKey of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one?
The InChIKey is QRVGBBRYMWBWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-9-6-11-8(5-12-9)7-1-3-10-4-2-7/h1,5-6,10H,2-4H2,(H,12,13).
What are the key properties of 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one?
5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 165444967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).