2-prop-1-ynylpyrazine

C7H6N2 — CID 20764666

IUPAC2-prop-1-ynylpyrazine
SMILESCC#Cc1cnccn1
InChIInChI=1S/C7H6N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,1H3
InChIKeyNUKJPFHOEQRDDD-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.85
Rot. Bonds

About 2-prop-1-ynylpyrazine

2-prop-1-ynylpyrazine (PubChem CID 20764666) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-prop-1-ynylpyrazine.

Molecular Properties

Compound Name2-prop-1-ynylpyrazine
PubChem CID20764666
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name2-prop-1-ynylpyrazine
SMILESCC#Cc1cnccn1
InChIInChI=1S/C7H6N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,1H3
InChIKeyNUKJPFHOEQRDDD-UHFFFAOYSA-N
XLogP0.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-1-ynylpyrazine 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-prop-1-ynylpyrazine?
The IUPAC name of 2-prop-1-ynylpyrazine (CID 20764666) is 2-prop-1-ynylpyrazine.
What is the SMILES notation for 2-prop-1-ynylpyrazine?
The canonical SMILES for 2-prop-1-ynylpyrazine is CC#Cc1cnccn1.
What is the InChIKey of 2-prop-1-ynylpyrazine?
The InChIKey is NUKJPFHOEQRDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,1H3.
What are the key properties of 2-prop-1-ynylpyrazine?
2-prop-1-ynylpyrazine has a molecular weight of 118.14 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-ynylpyrazine is sourced from PubChem (CID 20764666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).