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

C13H16N4O2 — CID 23072658

IUPAC1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2cccnc2)nccn1CCO
InChIInChI=1S/C13H16N4O2/c18-9-8-17-7-6-16-12(13(17)19)15-5-3-11-2-1-4-14-10-11/h1-2,4,6-7,10,18H,3,5,8-9H2,(H,15,16)
InChIKeyMWZNORDDJOJLQY-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.29
Rot. Bonds6

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

1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one (PubChem CID 23072658) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
PubChem CID23072658
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one
SMILESO=c1c(NCCc2cccnc2)nccn1CCO
InChIInChI=1S/C13H16N4O2/c18-9-8-17-7-6-16-12(13(17)19)15-5-3-11-2-1-4-14-10-11/h1-2,4,6-7,10,18H,3,5,8-9H2,(H,15,16)
InChIKeyMWZNORDDJOJLQY-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-2-ylethylamino)pyrazin-2-one
CID 58869665
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one
CID 114433930
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-chloro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 60914274
N-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563117
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
CID 55154883
N-phenyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563072
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
2-[2-oxo-3-(2-quinolin-6-ylethylamino)pyrazin-1-yl]acetic acid
CID 167803874

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one (CID 23072658) is 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one is O=c1c(NCCc2cccnc2)nccn1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one?
The InChIKey is MWZNORDDJOJLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-9-8-17-7-6-16-12(13(17)19)15-5-3-11-2-1-4-14-10-11/h1-2,4,6-7,10,18H,3,5,8-9H2,(H,15,16).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-pyridin-3-ylethylamino)pyrazin-2-one?
1-(2-hydroxyethyl)-3-(2-pyridin-3-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-3-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 23072658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).