3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol

C12H18N2O2 — CID 115800210

IUPAC3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol
SMILESOC(CCC1CCCCO1)c1cnccn1
InChIInChI=1S/C12H18N2O2/c15-12(11-9-13-6-7-14-11)5-4-10-3-1-2-8-16-10/h6-7,9-10,12,15H,1-5,8H2
InChIKeyUTENHNIYLWQSAL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.86
Rot. Bonds4

About 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol

3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol (PubChem CID 115800210) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol
PubChem CID115800210
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol
SMILESOC(CCC1CCCCO1)c1cnccn1
InChIInChI=1S/C12H18N2O2/c15-12(11-9-13-6-7-14-11)5-4-10-3-1-2-8-16-10/h6-7,9-10,12,15H,1-5,8H2
InChIKeyUTENHNIYLWQSAL-UHFFFAOYSA-N
XLogP1.86
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-yl)-1-pyrazin-2-ylethanol
CID 62608593
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
CID 115833989
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
3-(oxan-2-yl)-1-quinolin-8-ylpropan-1-ol
CID 115826914
1-(2-methyl-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 106756236
3-(oxan-2-yl)-1-quinolin-5-ylpropan-1-ol
CID 115826333
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
1-(3-cyclopropylimidazol-4-yl)-3-(oxolan-2-yl)propan-1-ol
CID 66139463
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
(3-cyclopentyl-1-pyrazin-2-ylpropyl)hydrazine
CID 105308696

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol (CID 115800210) is 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol is OC(CCC1CCCCO1)c1cnccn1.
What is the InChIKey of 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is UTENHNIYLWQSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(11-9-13-6-7-14-11)5-4-10-3-1-2-8-16-10/h6-7,9-10,12,15H,1-5,8H2.
What are the key properties of 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol?
3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 115800210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).