3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one

C11H18BrN3O — CID 80673737

IUPAC3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
SMILESCCCN(CCBr)c1nccn(CC)c1=O
InChIInChI=1S/C11H18BrN3O/c1-3-7-15(8-5-12)10-11(16)14(4-2)9-6-13-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyLTMAIRXREKNNLX-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.87
Rot. Bonds6

About 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one

3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one (PubChem CID 80673737) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
PubChem CID80673737
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
SMILESCCCN(CCBr)c1nccn(CC)c1=O
InChIInChI=1S/C11H18BrN3O/c1-3-7-15(8-5-12)10-11(16)14(4-2)9-6-13-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyLTMAIRXREKNNLX-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
3-[2-bromoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 80669412
N-(2-bromoethyl)-3-methyl-N-propylpyridin-2-amine
CID 80674717
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734102
3-bromo-1-ethylpyrazin-2-one
CID 59085559
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-[2-bromoethyl(pentan-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80679831

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one (CID 80673737) is 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one is CCCN(CCBr)c1nccn(CC)c1=O.
What is the InChIKey of 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one?
The InChIKey is LTMAIRXREKNNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-7-15(8-5-12)10-11(16)14(4-2)9-6-13-10/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one?
3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one has a molecular weight of 288.19 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 80673737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).