trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol

C12H19N3O2 — CID 126846494

IUPACtrans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCCOc1cnccn1
InChIInChI=1S/C12H19N3O2/c16-11-4-2-1-3-10(11)14-7-8-17-12-9-13-5-6-15-12/h5-6,9-11,14,16H,1-4,7-8H2/t10-,11-/m0/s1
InChIKeyNYCKVZHYJFHNSN-QWRGUYRKSA-N
MW237.30 g/mol
LogP0.75
Rot. Bonds5

About trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol (PubChem CID 126846494) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol
PubChem CID126846494
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametrans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCCOc1cnccn1
InChIInChI=1S/C12H19N3O2/c16-11-4-2-1-3-10(11)14-7-8-17-12-9-13-5-6-15-12/h5-6,9-11,14,16H,1-4,7-8H2/t10-,11-/m0/s1
InChIKeyNYCKVZHYJFHNSN-QWRGUYRKSA-N
XLogP0.75
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-pyrazin-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 111478378
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
trans-(1R,2R)-2-(pyrazin-2-ylmethylamino)cyclopentan-1-ol
CID 126846554
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
2-(pyrazin-2-ylamino)cyclohexan-1-ol
CID 62361109
2-[2-(2-methoxyphenoxy)ethylamino]cyclohexan-1-ol
CID 60714828
trans-(1R,2R)-2-(2-cyclopentyloxyethylamino)cyclopentan-1-ol
CID 102733484
3-[2-[(2-hydroxycyclohexyl)amino]ethoxy]benzoic acid
CID 103249841
trans-(1R,2R)-2-[2-(2,3,5-trimethylphenoxy)ethylamino]cyclohexan-1-ol
CID 162647736
trans-(1S,2S)-2-(2-ethoxyethylamino)cyclopentan-1-ol
CID 102733127
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
trans-(1S,2S)-2-(2-pyridin-2-ylethylamino)cyclopentan-1-ol
CID 93317378

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol (CID 126846494) is trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1NCCOc1cnccn1.
What is the InChIKey of trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol?
The InChIKey is NYCKVZHYJFHNSN-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-4-2-1-3-10(11)14-7-8-17-12-9-13-5-6-15-12/h5-6,9-11,14,16H,1-4,7-8H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-pyrazin-2-yloxyethylamino)cyclohexan-1-ol is sourced from PubChem (CID 126846494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).