1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one

C13H16N4O2 — CID 58869665

IUPAC1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2ccccn2)nccn1CCO
InChIInChI=1S/C13H16N4O2/c18-10-9-17-8-7-16-12(13(17)19)15-6-4-11-3-1-2-5-14-11/h1-3,5,7-8,18H,4,6,9-10H2,(H,15,16)
InChIKeyAWQGKQHTVNSVRK-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.29
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one

1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one (PubChem CID 58869665) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
PubChem CID58869665
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2ccccn2)nccn1CCO
InChIInChI=1S/C13H16N4O2/c18-10-9-17-8-7-16-12(13(17)19)15-6-4-11-3-1-2-5-14-11/h1-3,5,7-8,18H,4,6,9-10H2,(H,15,16)
InChIKeyAWQGKQHTVNSVRK-UHFFFAOYSA-N
XLogP0.29
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
CID 23072658
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
CID 67101566
6-chloro-1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]ethyl methanesulfonate
CID 161315420
1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554400
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
1-propyl-3-(2-thiophen-2-ylethylamino)pyrazin-2-one
CID 62938256
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
CID 55154883
3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939485
1-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazin-2-one
CID 104626468

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one (CID 58869665) is 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one is O=c1c(NCCc2ccccn2)nccn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
The InChIKey is AWQGKQHTVNSVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-10-9-17-8-7-16-12(13(17)19)15-6-4-11-3-1-2-5-14-11/h1-3,5,7-8,18H,4,6,9-10H2,(H,15,16).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 58869665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).