4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol

C11H14N2O2 — CID 58449012

IUPAC4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol
SMILESCC(C)c1cnc(OCC#CCO)cn1
InChIInChI=1S/C11H14N2O2/c1-9(2)10-7-13-11(8-12-10)15-6-4-3-5-14/h7-9,14H,5-6H2,1-2H3
InChIKeyRRWWSEIXANHQEG-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.97
Rot. Bonds3

About 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol

4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol (PubChem CID 58449012) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol.

Molecular Properties

Compound Name4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol
PubChem CID58449012
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol
SMILESCC(C)c1cnc(OCC#CCO)cn1
InChIInChI=1S/C11H14N2O2/c1-9(2)10-7-13-11(8-12-10)15-6-4-3-5-14/h7-9,14H,5-6H2,1-2H3
InChIKeyRRWWSEIXANHQEG-UHFFFAOYSA-N
XLogP0.97
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol?
The IUPAC name of 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol (CID 58449012) is 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol.
What is the SMILES notation for 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol?
The canonical SMILES for 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol is CC(C)c1cnc(OCC#CCO)cn1.
What is the InChIKey of 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol?
The InChIKey is RRWWSEIXANHQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(2)10-7-13-11(8-12-10)15-6-4-3-5-14/h7-9,14H,5-6H2,1-2H3.
What are the key properties of 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol?
4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol has a molecular weight of 206.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-ylpyrazin-2-yl)oxybut-2-yn-1-ol is sourced from PubChem (CID 58449012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).