3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one

C15H24BrN3O — CID 80668768

IUPAC3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(CCBr)C2CCCC2)c1=O
InChIInChI=1S/C15H24BrN3O/c1-12(2)11-18-10-8-17-14(15(18)20)19(9-7-16)13-5-3-4-6-13/h8,10,12-13H,3-7,9,11H2,1-2H3
InChIKeyIWXCRFAXGNOWIO-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.04
Rot. Bonds6

About 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 80668768) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID80668768
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N(CCBr)C2CCCC2)c1=O
InChIInChI=1S/C15H24BrN3O/c1-12(2)11-18-10-8-17-14(15(18)20)19(9-7-16)13-5-3-4-6-13/h8,10,12-13H,3-7,9,11H2,1-2H3
InChIKeyIWXCRFAXGNOWIO-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.04
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-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
3-[2-bromoethyl(pentan-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80679831
3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107174117
3-[3-chloropropyl(cyclobutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 102871485
3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
CID 102868566
3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106642835
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
2-[cyclopropylmethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 62940465
3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one
CID 63760150
N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
CID 102871649

Frequently Asked Questions

What is the IUPAC name of 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 80668768) is 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N(CCBr)C2CCCC2)c1=O.
What is the InChIKey of 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is IWXCRFAXGNOWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-12(2)11-18-10-8-17-14(15(18)20)19(9-7-16)13-5-3-4-6-13/h8,10,12-13H,3-7,9,11H2,1-2H3.
What are the key properties of 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 342.28 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 80668768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).