N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine

C10H16ClN3O — CID 103054155

IUPACN-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cnc(Cl)cn1
InChIInChI=1S/C10H16ClN3O/c1-3-14(4-5-15-2)8-9-6-13-10(11)7-12-9/h6-7H,3-5,8H2,1-2H3
InChIKeyUPJBYGWYSAXBTL-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.60
Rot. Bonds6

About N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine

N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine (PubChem CID 103054155) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
PubChem CID103054155
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)Cc1cnc(Cl)cn1
InChIInChI=1S/C10H16ClN3O/c1-3-14(4-5-15-2)8-9-6-13-10(11)7-12-9/h6-7H,3-5,8H2,1-2H3
InChIKeyUPJBYGWYSAXBTL-UHFFFAOYSA-N
XLogP1.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine (CID 103054155) is N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)Cc1cnc(Cl)cn1.
What is the InChIKey of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is UPJBYGWYSAXBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-14(4-5-15-2)8-9-6-13-10(11)7-12-9/h6-7H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine?
N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 229.71 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloropyrazin-2-yl)methyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 103054155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).