3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one

C8H11N3O2 — CID 114571125

IUPAC3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CC(CO)C1
InChIInChI=1S/C8H11N3O2/c12-5-6-3-11(4-6)7-8(13)10-2-1-9-7/h1-2,6,12H,3-5H2,(H,10,13)
InChIKeyHKSZUDDHUUIESO-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.80
Rot. Bonds2

About 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one

3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one (PubChem CID 114571125) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
PubChem CID114571125
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CC(CO)C1
InChIInChI=1S/C8H11N3O2/c12-5-6-3-11(4-6)7-8(13)10-2-1-9-7/h1-2,6,12H,3-5H2,(H,10,13)
InChIKeyHKSZUDDHUUIESO-UHFFFAOYSA-N
XLogP-0.80
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one (CID 114571125) is 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CC(CO)C1.
What is the InChIKey of 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is HKSZUDDHUUIESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-5-6-3-11(4-6)7-8(13)10-2-1-9-7/h1-2,6,12H,3-5H2,(H,10,13).
What are the key properties of 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one?
3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 181.19 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 114571125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).