methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate

C12H19N3O3 — CID 114059804

IUPACmethyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate
SMILESCCOCCN(CC)c1cnc(C(=O)OC)cn1
InChIInChI=1S/C12H19N3O3/c1-4-15(6-7-18-5-2)11-9-13-10(8-14-11)12(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyYGYUSRLWHQDGPJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.13
Rot. Bonds7

About methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate

methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate (PubChem CID 114059804) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate
PubChem CID114059804
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate
SMILESCCOCCN(CC)c1cnc(C(=O)OC)cn1
InChIInChI=1S/C12H19N3O3/c1-4-15(6-7-18-5-2)11-9-13-10(8-14-11)12(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyYGYUSRLWHQDGPJ-UHFFFAOYSA-N
XLogP1.13
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate (CID 114059804) is methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate is CCOCCN(CC)c1cnc(C(=O)OC)cn1.
What is the InChIKey of methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate?
The InChIKey is YGYUSRLWHQDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-15(6-7-18-5-2)11-9-13-10(8-14-11)12(16)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate?
methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-ethoxyethyl(ethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 114059804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).