6-chloro-N,N-diethylpyrazin-2-amine

C8H12ClN3 — CID 26370046

IUPAC6-chloro-N,N-diethylpyrazin-2-amine
SMILESCCN(CC)c1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-3-12(4-2)8-6-10-5-7(9)11-8/h5-6H,3-4H2,1-2H3
InChIKeyRCKIIPAATCGXKE-UHFFFAOYSA-N
MW185.66 g/mol
LogP1.98
Rot. Bonds3

About 6-chloro-N,N-diethylpyrazin-2-amine

6-chloro-N,N-diethylpyrazin-2-amine (PubChem CID 26370046) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 6-chloro-N,N-diethylpyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-diethylpyrazin-2-amine
PubChem CID26370046
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name6-chloro-N,N-diethylpyrazin-2-amine
SMILESCCN(CC)c1cncc(Cl)n1
InChIInChI=1S/C8H12ClN3/c1-3-12(4-2)8-6-10-5-7(9)11-8/h5-6H,3-4H2,1-2H3
InChIKeyRCKIIPAATCGXKE-UHFFFAOYSA-N
XLogP1.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethylpyrazin-2-amine?
The IUPAC name of 6-chloro-N,N-diethylpyrazin-2-amine (CID 26370046) is 6-chloro-N,N-diethylpyrazin-2-amine.
What is the SMILES notation for 6-chloro-N,N-diethylpyrazin-2-amine?
The canonical SMILES for 6-chloro-N,N-diethylpyrazin-2-amine is CCN(CC)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N,N-diethylpyrazin-2-amine?
The InChIKey is RCKIIPAATCGXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-3-12(4-2)8-6-10-5-7(9)11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethylpyrazin-2-amine?
6-chloro-N,N-diethylpyrazin-2-amine has a molecular weight of 185.66 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethylpyrazin-2-amine is sourced from PubChem (CID 26370046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).