2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine

C14H8N4 — CID 11436194

IUPAC2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine
SMILESC(#Cc1cnccn1)/C=C\C#Cc1cnccn1
InChIInChI=1S/C14H8N4/c1(3-5-13-11-15-7-9-17-13)2-4-6-14-12-16-8-10-18-14/h1-2,7-12H/b2-1-
InChIKeyUMZOOOHWQLIHOG-UPHRSURJSA-N
MW232.25 g/mol
LogP1.23
Rot. Bonds

About 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine

2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine (PubChem CID 11436194) has the molecular formula C14H8N4 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine.

Molecular Properties

Compound Name2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine
PubChem CID11436194
Molecular FormulaC14H8N4
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Name2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine
SMILESC(#Cc1cnccn1)/C=C\C#Cc1cnccn1
InChIInChI=1S/C14H8N4/c1(3-5-13-11-15-7-9-17-13)2-4-6-14-12-16-8-10-18-14/h1-2,7-12H/b2-1-
InChIKeyUMZOOOHWQLIHOG-UPHRSURJSA-N
XLogP1.23
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine?
The IUPAC name of 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine (CID 11436194) is 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine.
What is the SMILES notation for 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine?
The canonical SMILES for 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine is C(#Cc1cnccn1)/C=C\C#Cc1cnccn1.
What is the InChIKey of 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine?
The InChIKey is UMZOOOHWQLIHOG-UPHRSURJSA-N. The full InChI is InChI=1S/C14H8N4/c1(3-5-13-11-15-7-9-17-13)2-4-6-14-12-16-8-10-18-14/h1-2,7-12H/b2-1-.
What are the key properties of 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine?
2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine has a molecular weight of 232.25 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6-pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine is sourced from PubChem (CID 11436194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).