1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

C9H13N3O — CID 62917165

IUPAC1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(Cc2cnccn2)C1
InChIInChI=1S/C9H13N3O/c13-9-1-4-12(7-9)6-8-5-10-2-3-11-8/h2-3,5,9,13H,1,4,6-7H2
InChIKeyQPGLCUWKNPLAHI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.04
Rot. Bonds2

About 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 62917165) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID62917165
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESOC1CCN(Cc2cnccn2)C1
InChIInChI=1S/C9H13N3O/c13-9-1-4-12(7-9)6-8-5-10-2-3-11-8/h2-3,5,9,13H,1,4,6-7H2
InChIKeyQPGLCUWKNPLAHI-UHFFFAOYSA-N
XLogP0.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71644033
1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71644418
1-(pyrazin-2-ylmethyl)piperidin-4-amine
CID 43556640
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
CID 62356299
2-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]oxyethanol
CID 82691447
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
N-methyl-N-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 171995944
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
6-methyl-N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171996018
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 64777101
1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 62917538
N-[1-(pyrazin-2-ylmethyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 58024836

Frequently Asked Questions

What is the IUPAC name of 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (CID 62917165) is 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is OC1CCN(Cc2cnccn2)C1.
What is the InChIKey of 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is QPGLCUWKNPLAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9-1-4-12(7-9)6-8-5-10-2-3-11-8/h2-3,5,9,13H,1,4,6-7H2.
What are the key properties of 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 62917165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).