2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol

C14H21N3O4 — CID 171558062

IUPAC2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol
SMILESOC1CCOC(COc2cnc(C3CCNC3)cn2)C1O
InChIInChI=1S/C14H21N3O4/c18-11-2-4-20-12(14(11)19)8-21-13-7-16-10(6-17-13)9-1-3-15-5-9/h6-7,9,11-12,14-15,18-19H,1-5,8H2
InChIKeyURVRUGYYNMIEHM-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.56
Rot. Bonds4

About 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol

2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol (PubChem CID 171558062) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol.

Molecular Properties

Compound Name2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol
PubChem CID171558062
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol
SMILESOC1CCOC(COc2cnc(C3CCNC3)cn2)C1O
InChIInChI=1S/C14H21N3O4/c18-11-2-4-20-12(14(11)19)8-21-13-7-16-10(6-17-13)9-1-3-15-5-9/h6-7,9,11-12,14-15,18-19H,1-5,8H2
InChIKeyURVRUGYYNMIEHM-UHFFFAOYSA-N
XLogP-0.56
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-Pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171558061

Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol?
The IUPAC name of 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol (CID 171558062) is 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol.
What is the SMILES notation for 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol?
The canonical SMILES for 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol is OC1CCOC(COc2cnc(C3CCNC3)cn2)C1O.
What is the InChIKey of 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol?
The InChIKey is URVRUGYYNMIEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c18-11-2-4-20-12(14(11)19)8-21-13-7-16-10(6-17-13)9-1-3-15-5-9/h6-7,9,11-12,14-15,18-19H,1-5,8H2.
What are the key properties of 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol?
2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol has a molecular weight of 295.34 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyrrolidin-3-ylpyrazin-2-yl)oxymethyl]oxane-3,4-diol is sourced from PubChem (CID 171558062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).