3-chloro-1-(3-hydroxypropyl)pyrazin-2-one

C7H9ClN2O2 — CID 114561714

IUPAC3-chloro-1-(3-hydroxypropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CCCO
InChIInChI=1S/C7H9ClN2O2/c8-6-7(12)10(3-1-5-11)4-2-9-6/h2,4,11H,1,3,5H2
InChIKeyRBNVAOYZZGQPDW-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.28
Rot. Bonds3

About 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one

3-chloro-1-(3-hydroxypropyl)pyrazin-2-one (PubChem CID 114561714) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-(3-hydroxypropyl)pyrazin-2-one
PubChem CID114561714
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name3-chloro-1-(3-hydroxypropyl)pyrazin-2-one
SMILESO=c1c(Cl)nccn1CCCO
InChIInChI=1S/C7H9ClN2O2/c8-6-7(12)10(3-1-5-11)4-2-9-6/h2,4,11H,1,3,5H2
InChIKeyRBNVAOYZZGQPDW-UHFFFAOYSA-N
XLogP0.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one?
The IUPAC name of 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one (CID 114561714) is 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one?
The canonical SMILES for 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one is O=c1c(Cl)nccn1CCCO.
What is the InChIKey of 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one?
The InChIKey is RBNVAOYZZGQPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c8-6-7(12)10(3-1-5-11)4-2-9-6/h2,4,11H,1,3,5H2.
What are the key properties of 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one?
3-chloro-1-(3-hydroxypropyl)pyrazin-2-one has a molecular weight of 188.61 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-hydroxypropyl)pyrazin-2-one is sourced from PubChem (CID 114561714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).