2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile

C7HCl3N4 — CID 13101674

IUPAC2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile
SMILESN#CC(C#N)c1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7HCl3N4/c8-5-4(3(1-11)2-12)13-6(9)7(10)14-5/h3H
InChIKeyZTTFSEMHYJNXOV-UHFFFAOYSA-N
MW247.47 g/mol
LogP2.57
Rot. Bonds1

About 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile

2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile (PubChem CID 13101674) has the molecular formula C7HCl3N4 and a molecular weight of 247.47 g/mol. Its IUPAC name is 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile
PubChem CID13101674
Molecular FormulaC7HCl3N4
Molecular Weight247.47 g/mol
Exact Mass245.93
IUPAC Name2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile
SMILESN#CC(C#N)c1nc(Cl)c(Cl)nc1Cl
InChIInChI=1S/C7HCl3N4/c8-5-4(3(1-11)2-12)13-6(9)7(10)14-5/h3H
InChIKeyZTTFSEMHYJNXOV-UHFFFAOYSA-N
XLogP2.57
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile?
The IUPAC name of 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile (CID 13101674) is 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile.
What is the SMILES notation for 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile?
The canonical SMILES for 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile is N#CC(C#N)c1nc(Cl)c(Cl)nc1Cl.
What is the InChIKey of 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile?
The InChIKey is ZTTFSEMHYJNXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl3N4/c8-5-4(3(1-11)2-12)13-6(9)7(10)14-5/h3H.
What are the key properties of 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile?
2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile has a molecular weight of 247.47 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,6-trichloropyrazin-2-yl)propanedinitrile is sourced from PubChem (CID 13101674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).