2-(5-ethynylpyrazin-2-yl)propan-2-ol

C9H10N2O — CID 87311879

IUPAC2-(5-ethynylpyrazin-2-yl)propan-2-ol
SMILESC#Cc1cnc(C(C)(C)O)cn1
InChIInChI=1S/C9H10N2O/c1-4-7-5-11-8(6-10-7)9(2,3)12/h1,5-6,12H,2-3H3
InChIKeyILZWCEYFHAFUAZ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.69
Rot. Bonds1

About 2-(5-ethynylpyrazin-2-yl)propan-2-ol

2-(5-ethynylpyrazin-2-yl)propan-2-ol (PubChem CID 87311879) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(5-ethynylpyrazin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-ethynylpyrazin-2-yl)propan-2-ol
PubChem CID87311879
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(5-ethynylpyrazin-2-yl)propan-2-ol
SMILESC#Cc1cnc(C(C)(C)O)cn1
InChIInChI=1S/C9H10N2O/c1-4-7-5-11-8(6-10-7)9(2,3)12/h1,5-6,12H,2-3H3
InChIKeyILZWCEYFHAFUAZ-UHFFFAOYSA-N
XLogP0.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-ethynylpyrazin-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethynylpyrazin-2-yl)propan-2-ol?
The IUPAC name of 2-(5-ethynylpyrazin-2-yl)propan-2-ol (CID 87311879) is 2-(5-ethynylpyrazin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-ethynylpyrazin-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-ethynylpyrazin-2-yl)propan-2-ol is C#Cc1cnc(C(C)(C)O)cn1.
What is the InChIKey of 2-(5-ethynylpyrazin-2-yl)propan-2-ol?
The InChIKey is ILZWCEYFHAFUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-4-7-5-11-8(6-10-7)9(2,3)12/h1,5-6,12H,2-3H3.
What are the key properties of 2-(5-ethynylpyrazin-2-yl)propan-2-ol?
2-(5-ethynylpyrazin-2-yl)propan-2-ol has a molecular weight of 162.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethynylpyrazin-2-yl)propan-2-ol is sourced from PubChem (CID 87311879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).