[5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol

C10H10N2O — CID 129091700

IUPAC[5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol
SMILESOCc1cnc(C#CC2CC2)cn1
InChIInChI=1S/C10H10N2O/c13-7-10-6-11-9(5-12-10)4-3-8-1-2-8/h5-6,8,13H,1-2,7H2
InChIKeyPHTKKLUKRXYIRA-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.73
Rot. Bonds1

About [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol

[5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol (PubChem CID 129091700) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol
PubChem CID129091700
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name[5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol
SMILESOCc1cnc(C#CC2CC2)cn1
InChIInChI=1S/C10H10N2O/c13-7-10-6-11-9(5-12-10)4-3-8-1-2-8/h5-6,8,13H,1-2,7H2
InChIKeyPHTKKLUKRXYIRA-UHFFFAOYSA-N
XLogP0.73
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.73
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 [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol?
The IUPAC name of [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol (CID 129091700) is [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol?
The canonical SMILES for [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol is OCc1cnc(C#CC2CC2)cn1.
What is the InChIKey of [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol?
The InChIKey is PHTKKLUKRXYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-7-10-6-11-9(5-12-10)4-3-8-1-2-8/h5-6,8,13H,1-2,7H2.
What are the key properties of [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol?
[5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol has a molecular weight of 174.20 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclopropylethynyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 129091700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).