1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine

C12H19ClN4 — CID 55158990

IUPAC1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C12H19ClN4/c1-3-16(4-2)10-5-6-17(9-10)12-8-14-7-11(13)15-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMXFFVLGYJSGEKI-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.05
Rot. Bonds4

About 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine

1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 55158990) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine
PubChem CID55158990
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cncc(Cl)n2)C1
InChIInChI=1S/C12H19ClN4/c1-3-16(4-2)10-5-6-17(9-10)12-8-14-7-11(13)15-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMXFFVLGYJSGEKI-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine (CID 55158990) is 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2cncc(Cl)n2)C1.
What is the InChIKey of 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is MXFFVLGYJSGEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-16(4-2)10-5-6-17(9-10)12-8-14-7-11(13)15-12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine?
1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 254.76 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyrazin-2-yl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 55158990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).