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

C7H10N2O3 — CID 130538561

IUPAC1-(2,3-dihydroxypropyl)pyrazin-2-one
SMILESO=c1cnccn1CC(O)CO
InChIInChI=1S/C7H10N2O3/c10-5-6(11)4-9-2-1-8-3-7(9)12/h1-3,6,10-11H,4-5H2
InChIKeyKBPLETJUNIHRQR-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.40
Rot. Bonds3

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

1-(2,3-dihydroxypropyl)pyrazin-2-one (PubChem CID 130538561) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)pyrazin-2-one
PubChem CID130538561
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2,3-dihydroxypropyl)pyrazin-2-one
SMILESO=c1cnccn1CC(O)CO
InChIInChI=1S/C7H10N2O3/c10-5-6(11)4-9-2-1-8-3-7(9)12/h1-3,6,10-11H,4-5H2
InChIKeyKBPLETJUNIHRQR-UHFFFAOYSA-N
XLogP-1.40
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)pyrazin-2-one?
The IUPAC name of 1-(2,3-dihydroxypropyl)pyrazin-2-one (CID 130538561) is 1-(2,3-dihydroxypropyl)pyrazin-2-one.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)pyrazin-2-one?
The canonical SMILES for 1-(2,3-dihydroxypropyl)pyrazin-2-one is O=c1cnccn1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)pyrazin-2-one?
The InChIKey is KBPLETJUNIHRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-5-6(11)4-9-2-1-8-3-7(9)12/h1-3,6,10-11H,4-5H2.
What are the key properties of 1-(2,3-dihydroxypropyl)pyrazin-2-one?
1-(2,3-dihydroxypropyl)pyrazin-2-one has a molecular weight of 170.17 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)pyrazin-2-one is sourced from PubChem (CID 130538561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).