trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol

C9H12N2O — CID 130127546

IUPACtrans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1c1cnccn1
InChIInChI=1S/C9H12N2O/c12-9-3-1-2-7(9)8-6-10-4-5-11-8/h4-7,9,12H,1-3H2/t7-,9+/m0/s1
InChIKeyGZEKWYDIQGMWDK-IONNQARKSA-N
MW164.21 g/mol
LogP1.11
Rot. Bonds1

About trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol

trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol (PubChem CID 130127546) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol
PubChem CID130127546
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Nametrans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1c1cnccn1
InChIInChI=1S/C9H12N2O/c12-9-3-1-2-7(9)8-6-10-4-5-11-8/h4-7,9,12H,1-3H2/t7-,9+/m0/s1
InChIKeyGZEKWYDIQGMWDK-IONNQARKSA-N
XLogP1.11
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrazin-2-ylcyclohexan-1-ol
CID 63968400
benzene;2-[(1S,2R)-2-pyrazin-2-ylcyclobutyl]pyrazine
CID 144818057
2-methyl-3-pyrazin-2-ylcyclopentan-1-ol
CID 64909231
(2-pyrazin-2-ylcyclohexyl)methanamine
CID 81010683
N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
CID 81033718
N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
CID 81028406
N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
CID 81026451
6-pyrazin-2-ylbicyclo[3.1.0]hexan-6-ol
CID 79331043
2-(1,3-thiazol-4-yl)cyclopentan-1-ol
CID 127011648
N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
CID 81025607
cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol
CID 97036881
trans-(1R,2R)-2-(pyrazin-2-ylmethylamino)cyclopentan-1-ol
CID 126846554

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol (CID 130127546) is trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol is O[C@@H]1CCC[C@H]1c1cnccn1.
What is the InChIKey of trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol?
The InChIKey is GZEKWYDIQGMWDK-IONNQARKSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-3-1-2-7(9)8-6-10-4-5-11-8/h4-7,9,12H,1-3H2/t7-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol?
trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol has a molecular weight of 164.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-pyrazin-2-ylcyclopentan-1-ol is sourced from PubChem (CID 130127546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).