2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine

C10H7N3 — CID 20641670

IUPAC2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine
SMILESC(#Cc1cnccn1)C1=CCC=N1
InChIInChI=1S/C10H7N3/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10/h2,5-8H,1H2
InChIKeyAAIGDMKAYSWOHQ-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.19
Rot. Bonds

About 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine

2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine (PubChem CID 20641670) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine.

Molecular Properties

Compound Name2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine
PubChem CID20641670
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine
SMILESC(#Cc1cnccn1)C1=CCC=N1
InChIInChI=1S/C10H7N3/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10/h2,5-8H,1H2
InChIKeyAAIGDMKAYSWOHQ-UHFFFAOYSA-N
XLogP1.19
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
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 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine?
The IUPAC name of 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine (CID 20641670) is 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine.
What is the SMILES notation for 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine?
The canonical SMILES for 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine is C(#Cc1cnccn1)C1=CCC=N1.
What is the InChIKey of 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine?
The InChIKey is AAIGDMKAYSWOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-9(12-5-1)3-4-10-8-11-6-7-13-10/h2,5-8H,1H2.
What are the key properties of 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine?
2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine has a molecular weight of 169.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-pyrrol-5-yl)ethynyl]pyrazine is sourced from PubChem (CID 20641670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).