2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine

C12H18N4O — CID 75500009

IUPAC2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine
SMILESCCOCCN(C)Cc1cnc2cnccn12
InChIInChI=1S/C12H18N4O/c1-3-17-7-6-15(2)10-11-8-14-12-9-13-4-5-16(11)12/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyYNEGQZUNYWIZQW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds6

About 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine

2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine (PubChem CID 75500009) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine
PubChem CID75500009
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine
SMILESCCOCCN(C)Cc1cnc2cnccn12
InChIInChI=1S/C12H18N4O/c1-3-17-7-6-15(2)10-11-8-14-12-9-13-4-5-16(11)12/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyYNEGQZUNYWIZQW-UHFFFAOYSA-N
XLogP1.20
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine?
The IUPAC name of 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine (CID 75500009) is 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine.
What is the SMILES notation for 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine?
The canonical SMILES for 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine is CCOCCN(C)Cc1cnc2cnccn12.
What is the InChIKey of 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine?
The InChIKey is YNEGQZUNYWIZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-17-7-6-15(2)10-11-8-14-12-9-13-4-5-16(11)12/h4-5,8-9H,3,6-7,10H2,1-2H3.
What are the key properties of 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine?
2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 75500009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).