2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile

C13H19N5 — CID 65417963

IUPAC2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile
SMILESCc1cnc(C)c(N2CCN(C(C)C#N)CC2)n1
InChIInChI=1S/C13H19N5/c1-10-9-15-12(3)13(16-10)18-6-4-17(5-7-18)11(2)8-14/h9,11H,4-7H2,1-3H3
InChIKeyYRCVNVUBRNOUKT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.13
Rot. Bonds2

About 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile

2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile (PubChem CID 65417963) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile
PubChem CID65417963
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile
SMILESCc1cnc(C)c(N2CCN(C(C)C#N)CC2)n1
InChIInChI=1S/C13H19N5/c1-10-9-15-12(3)13(16-10)18-6-4-17(5-7-18)11(2)8-14/h9,11H,4-7H2,1-3H3
InChIKeyYRCVNVUBRNOUKT-UHFFFAOYSA-N
XLogP1.13
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile (CID 65417963) is 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile is Cc1cnc(C)c(N2CCN(C(C)C#N)CC2)n1.
What is the InChIKey of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile?
The InChIKey is YRCVNVUBRNOUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-9-15-12(3)13(16-10)18-6-4-17(5-7-18)11(2)8-14/h9,11H,4-7H2,1-3H3.
What are the key properties of 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile?
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile has a molecular weight of 245.33 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 65417963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).