3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one

C7H9ClN2O3 — CID 114561672

IUPAC3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CC(O)CO
InChIInChI=1S/C7H9ClN2O3/c8-6-7(13)10(2-1-9-6)3-5(12)4-11/h1-2,5,11-12H,3-4H2
InChIKeyIOMNRJYIBVFVOM-UHFFFAOYSA-N
MW204.61 g/mol
LogP-0.75
Rot. Bonds3

About 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one

3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one (PubChem CID 114561672) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
PubChem CID114561672
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CC(O)CO
InChIInChI=1S/C7H9ClN2O3/c8-6-7(13)10(2-1-9-6)3-5(12)4-11/h1-2,5,11-12H,3-4H2
InChIKeyIOMNRJYIBVFVOM-UHFFFAOYSA-N
XLogP-0.75
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one?
The IUPAC name of 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one (CID 114561672) is 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one?
The canonical SMILES for 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one is O=c1c(Cl)nccn1CC(O)CO.
What is the InChIKey of 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one?
The InChIKey is IOMNRJYIBVFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c8-6-7(13)10(2-1-9-6)3-5(12)4-11/h1-2,5,11-12H,3-4H2.
What are the key properties of 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one?
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one has a molecular weight of 204.61 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one is sourced from PubChem (CID 114561672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).