3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one

C11H16ClN3O2 — CID 65027595

IUPAC3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NCCOCCCl)nccn1C1CC1
InChIInChI=1S/C11H16ClN3O2/c12-3-7-17-8-5-14-10-11(16)15(6-4-13-10)9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,13,14)
InChIKeyZHCROSGBOCYKER-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.25
Rot. Bonds7

About 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one

3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one (PubChem CID 65027595) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one
PubChem CID65027595
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NCCOCCCl)nccn1C1CC1
InChIInChI=1S/C11H16ClN3O2/c12-3-7-17-8-5-14-10-11(16)15(6-4-13-10)9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,13,14)
InChIKeyZHCROSGBOCYKER-UHFFFAOYSA-N
XLogP1.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one (CID 65027595) is 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one is O=c1c(NCCOCCCl)nccn1C1CC1.
What is the InChIKey of 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one?
The InChIKey is ZHCROSGBOCYKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-3-7-17-8-5-14-10-11(16)15(6-4-13-10)9-1-2-9/h4,6,9H,1-3,5,7-8H2,(H,13,14).
What are the key properties of 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one?
3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one has a molecular weight of 257.72 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 65027595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).