2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile

C10H8N4 — CID 116833358

IUPAC2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile
SMILESN#CC(c1cnccn1)c1ccc[nH]1
InChIInChI=1S/C10H8N4/c11-6-8(9-2-1-3-13-9)10-7-12-4-5-14-10/h1-5,7-8,13H
InChIKeyMEXCRGZOTKRZHP-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.46
Rot. Bonds2

About 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile

2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile (PubChem CID 116833358) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile
PubChem CID116833358
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile
SMILESN#CC(c1cnccn1)c1ccc[nH]1
InChIInChI=1S/C10H8N4/c11-6-8(9-2-1-3-13-9)10-7-12-4-5-14-10/h1-5,7-8,13H
InChIKeyMEXCRGZOTKRZHP-UHFFFAOYSA-N
XLogP1.46
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile (CID 116833358) is 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile is N#CC(c1cnccn1)c1ccc[nH]1.
What is the InChIKey of 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile?
The InChIKey is MEXCRGZOTKRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-6-8(9-2-1-3-13-9)10-7-12-4-5-14-10/h1-5,7-8,13H.
What are the key properties of 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile?
2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 116833358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).