3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one

C15H17BrN4O — CID 112707759

IUPAC3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
SMILESCc1cc(-n2ccnc(N3CCC(N)C3)c2=O)ccc1Br
InChIInChI=1S/C15H17BrN4O/c1-10-8-12(2-3-13(10)16)20-7-5-18-14(15(20)21)19-6-4-11(17)9-19/h2-3,5,7-8,11H,4,6,9,17H2,1H3
InChIKeyHMLLUTGEAIKUBY-UHFFFAOYSA-N
MW349.23 g/mol
LogP1.84
Rot. Bonds2

About 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one

3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one (PubChem CID 112707759) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
PubChem CID112707759
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
SMILESCc1cc(-n2ccnc(N3CCC(N)C3)c2=O)ccc1Br
InChIInChI=1S/C15H17BrN4O/c1-10-8-12(2-3-13(10)16)20-7-5-18-14(15(20)21)19-6-4-11(17)9-19/h2-3,5,7-8,11H,4,6,9,17H2,1H3
InChIKeyHMLLUTGEAIKUBY-UHFFFAOYSA-N
XLogP1.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminopiperidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one
CID 112707758
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylic acid
CID 112707721
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine
CID 107575286
(3S)-1-(3-methylpyrazin-2-yl)pyrrolidin-3-amine;hydrochloride
CID 71639291
3-(3-aminopyrrolidin-1-yl)-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 102567348
(4S)-4-amino-1-(4-bromo-3-methylphenyl)pyrrolidin-2-one
CID 93094958

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one (CID 112707759) is 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one is Cc1cc(-n2ccnc(N3CCC(N)C3)c2=O)ccc1Br.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
The InChIKey is HMLLUTGEAIKUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10-8-12(2-3-13(10)16)20-7-5-18-14(15(20)21)19-6-4-11(17)9-19/h2-3,5,7-8,11H,4,6,9,17H2,1H3.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one?
3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one has a molecular weight of 349.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidin-1-yl)-1-(4-bromo-3-methylphenyl)pyrazin-2-one is sourced from PubChem (CID 112707759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).