4-pyrazin-2-ylbut-3-yn-2-ol

C8H8N2O — CID 122242536

IUPAC4-pyrazin-2-ylbut-3-yn-2-ol
SMILESCC(O)C#Cc1cnccn1
InChIInChI=1S/C8H8N2O/c1-7(11)2-3-8-6-9-4-5-10-8/h4-7,11H,1H3
InChIKeyKKTXWUUHYGXOJQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.21
Rot. Bonds

About 4-pyrazin-2-ylbut-3-yn-2-ol

4-pyrazin-2-ylbut-3-yn-2-ol (PubChem CID 122242536) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-pyrazin-2-ylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-pyrazin-2-ylbut-3-yn-2-ol
PubChem CID122242536
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name4-pyrazin-2-ylbut-3-yn-2-ol
SMILESCC(O)C#Cc1cnccn1
InChIInChI=1S/C8H8N2O/c1-7(11)2-3-8-6-9-4-5-10-8/h4-7,11H,1H3
InChIKeyKKTXWUUHYGXOJQ-UHFFFAOYSA-N
XLogP0.21
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pyrazin-2-ylbut-3-yn-2-ol?
The IUPAC name of 4-pyrazin-2-ylbut-3-yn-2-ol (CID 122242536) is 4-pyrazin-2-ylbut-3-yn-2-ol.
What is the SMILES notation for 4-pyrazin-2-ylbut-3-yn-2-ol?
The canonical SMILES for 4-pyrazin-2-ylbut-3-yn-2-ol is CC(O)C#Cc1cnccn1.
What is the InChIKey of 4-pyrazin-2-ylbut-3-yn-2-ol?
The InChIKey is KKTXWUUHYGXOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-7(11)2-3-8-6-9-4-5-10-8/h4-7,11H,1H3.
What are the key properties of 4-pyrazin-2-ylbut-3-yn-2-ol?
4-pyrazin-2-ylbut-3-yn-2-ol has a molecular weight of 148.16 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylbut-3-yn-2-ol is sourced from PubChem (CID 122242536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).