3-methoxy-1-pyrazin-2-ylpropan-1-ol

C8H12N2O2 — CID 62608017

IUPAC3-methoxy-1-pyrazin-2-ylpropan-1-ol
SMILESCOCCC(O)c1cnccn1
InChIInChI=1S/C8H12N2O2/c1-12-5-2-8(11)7-6-9-3-4-10-7/h3-4,6,8,11H,2,5H2,1H3
InChIKeyFPJFJIFVKKJYNK-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds4

About 3-methoxy-1-pyrazin-2-ylpropan-1-ol

3-methoxy-1-pyrazin-2-ylpropan-1-ol (PubChem CID 62608017) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-methoxy-1-pyrazin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-pyrazin-2-ylpropan-1-ol
PubChem CID62608017
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-methoxy-1-pyrazin-2-ylpropan-1-ol
SMILESCOCCC(O)c1cnccn1
InChIInChI=1S/C8H12N2O2/c1-12-5-2-8(11)7-6-9-3-4-10-7/h3-4,6,8,11H,2,5H2,1H3
InChIKeyFPJFJIFVKKJYNK-UHFFFAOYSA-N
XLogP0.55
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-1-pyrazin-2-ylpropan-1-ol
CID 114997368
3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-ol
CID 115001589
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
4-pyrazin-2-ylbutane-1,1,1,4-tetrol
CID 87881315
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
CID 62605954
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
CID 114643021
(3R)-3-(methylamino)-3-pyrazin-2-ylpropan-1-ol
CID 96762763
2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
CID 55096330
2-(1-methylimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79752608

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-pyrazin-2-ylpropan-1-ol?
The IUPAC name of 3-methoxy-1-pyrazin-2-ylpropan-1-ol (CID 62608017) is 3-methoxy-1-pyrazin-2-ylpropan-1-ol.
What is the SMILES notation for 3-methoxy-1-pyrazin-2-ylpropan-1-ol?
The canonical SMILES for 3-methoxy-1-pyrazin-2-ylpropan-1-ol is COCCC(O)c1cnccn1.
What is the InChIKey of 3-methoxy-1-pyrazin-2-ylpropan-1-ol?
The InChIKey is FPJFJIFVKKJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-12-5-2-8(11)7-6-9-3-4-10-7/h3-4,6,8,11H,2,5H2,1H3.
What are the key properties of 3-methoxy-1-pyrazin-2-ylpropan-1-ol?
3-methoxy-1-pyrazin-2-ylpropan-1-ol has a molecular weight of 168.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-pyrazin-2-ylpropan-1-ol is sourced from PubChem (CID 62608017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).