2-(3-chloropyrazin-2-yl)ethanamine

C6H8ClN3 — CID 134588133

IUPAC2-(3-chloropyrazin-2-yl)ethanamine
SMILESNCCc1nccnc1Cl
InChIInChI=1S/C6H8ClN3/c7-6-5(1-2-8)9-3-4-10-6/h3-4H,1-2,8H2
InChIKeyYMFFIMNMSJUQCB-UHFFFAOYSA-N
MW157.60 g/mol
LogP0.63
Rot. Bonds2

About 2-(3-chloropyrazin-2-yl)ethanamine

2-(3-chloropyrazin-2-yl)ethanamine (PubChem CID 134588133) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 2-(3-chloropyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloropyrazin-2-yl)ethanamine
PubChem CID134588133
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name2-(3-chloropyrazin-2-yl)ethanamine
SMILESNCCc1nccnc1Cl
InChIInChI=1S/C6H8ClN3/c7-6-5(1-2-8)9-3-4-10-6/h3-4H,1-2,8H2
InChIKeyYMFFIMNMSJUQCB-UHFFFAOYSA-N
XLogP0.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrazin-2-yl)ethanamine?
The IUPAC name of 2-(3-chloropyrazin-2-yl)ethanamine (CID 134588133) is 2-(3-chloropyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chloropyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(3-chloropyrazin-2-yl)ethanamine is NCCc1nccnc1Cl.
What is the InChIKey of 2-(3-chloropyrazin-2-yl)ethanamine?
The InChIKey is YMFFIMNMSJUQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c7-6-5(1-2-8)9-3-4-10-6/h3-4H,1-2,8H2.
What are the key properties of 2-(3-chloropyrazin-2-yl)ethanamine?
2-(3-chloropyrazin-2-yl)ethanamine has a molecular weight of 157.60 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrazin-2-yl)ethanamine is sourced from PubChem (CID 134588133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).