2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile

C9H7ClN4 — CID 156869672

IUPAC2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile
SMILESCc1nc(Cl)c(C(C#N)C#N)nc1C
InChIInChI=1S/C9H7ClN4/c1-5-6(2)14-9(10)8(13-5)7(3-11)4-12/h7H,1-2H3
InChIKeyGVTWKKJBTBDYSI-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.88
Rot. Bonds1

About 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile

2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile (PubChem CID 156869672) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile
PubChem CID156869672
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile
SMILESCc1nc(Cl)c(C(C#N)C#N)nc1C
InChIInChI=1S/C9H7ClN4/c1-5-6(2)14-9(10)8(13-5)7(3-11)4-12/h7H,1-2H3
InChIKeyGVTWKKJBTBDYSI-UHFFFAOYSA-N
XLogP1.88
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile?
The IUPAC name of 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile (CID 156869672) is 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile.
What is the SMILES notation for 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile?
The canonical SMILES for 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile is Cc1nc(Cl)c(C(C#N)C#N)nc1C.
What is the InChIKey of 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile?
The InChIKey is GVTWKKJBTBDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c1-5-6(2)14-9(10)8(13-5)7(3-11)4-12/h7H,1-2H3.
What are the key properties of 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile?
2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile has a molecular weight of 206.64 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5,6-dimethylpyrazin-2-yl)propanedinitrile is sourced from PubChem (CID 156869672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).