4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol

C12H16ClN3O3 — CID 171999549

IUPAC4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O3/c13-11-1-14-2-12(15-11)19-5-8-3-16(4-8)9-6-18-7-10(9)17/h1-2,8-10,17H,3-7H2
InChIKeyBMKSJXWJUBINHF-UHFFFAOYSA-N
MW285.73 g/mol
LogP0.20
Rot. Bonds4

About 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol

4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol (PubChem CID 171999549) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol
PubChem CID171999549
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol
SMILESOC1COCC1N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O3/c13-11-1-14-2-12(15-11)19-5-8-3-16(4-8)9-6-18-7-10(9)17/h1-2,8-10,17H,3-7H2
InChIKeyBMKSJXWJUBINHF-UHFFFAOYSA-N
XLogP0.20
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol?
The IUPAC name of 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol (CID 171999549) is 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol.
What is the SMILES notation for 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol?
The canonical SMILES for 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol is OC1COCC1N1CC(COc2cncc(Cl)n2)C1.
What is the InChIKey of 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol?
The InChIKey is BMKSJXWJUBINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-11-1-14-2-12(15-11)19-5-8-3-16(4-8)9-6-18-7-10(9)17/h1-2,8-10,17H,3-7H2.
What are the key properties of 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol?
4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol has a molecular weight of 285.73 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]oxolan-3-ol is sourced from PubChem (CID 171999549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).