2-buta-1,3-diynylpyrazine

C8H4N2 — CID 101428703

IUPAC2-buta-1,3-diynylpyrazine
SMILESC#CC#Cc1cnccn1
InChIInChI=1S/C8H4N2/c1-2-3-4-8-7-9-5-6-10-8/h1,5-7H
InChIKeyCLWCMKDNSSHTNR-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds

About 2-buta-1,3-diynylpyrazine

2-buta-1,3-diynylpyrazine (PubChem CID 101428703) has the molecular formula C8H4N2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-buta-1,3-diynylpyrazine.

Molecular Properties

Compound Name2-buta-1,3-diynylpyrazine
PubChem CID101428703
Molecular FormulaC8H4N2
Molecular Weight128.13 g/mol
Exact Mass128.04
IUPAC Name2-buta-1,3-diynylpyrazine
SMILESC#CC#Cc1cnccn1
InChIInChI=1S/C8H4N2/c1-2-3-4-8-7-9-5-6-10-8/h1,5-7H
InChIKeyCLWCMKDNSSHTNR-UHFFFAOYSA-N
XLogP0.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-buta-1,3-diynylpyrazine 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-buta-1,3-diynylpyrazine?
The IUPAC name of 2-buta-1,3-diynylpyrazine (CID 101428703) is 2-buta-1,3-diynylpyrazine.
What is the SMILES notation for 2-buta-1,3-diynylpyrazine?
The canonical SMILES for 2-buta-1,3-diynylpyrazine is C#CC#Cc1cnccn1.
What is the InChIKey of 2-buta-1,3-diynylpyrazine?
The InChIKey is CLWCMKDNSSHTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2/c1-2-3-4-8-7-9-5-6-10-8/h1,5-7H.
What are the key properties of 2-buta-1,3-diynylpyrazine?
2-buta-1,3-diynylpyrazine has a molecular weight of 128.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-1,3-diynylpyrazine is sourced from PubChem (CID 101428703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).