5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one

C11H14BrN5O — CID 104505818

IUPAC5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one
SMILESCCn1ncnc1Cn1cc(N)c(C)c(Br)c1=O
InChIInChI=1S/C11H14BrN5O/c1-3-17-9(14-6-15-17)5-16-4-8(13)7(2)10(12)11(16)18/h4,6H,3,5,13H2,1-2H3
InChIKeyWQDFQZSKNAIYHY-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.16
Rot. Bonds3

About 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one

5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one (PubChem CID 104505818) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one
PubChem CID104505818
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one
SMILESCCn1ncnc1Cn1cc(N)c(C)c(Br)c1=O
InChIInChI=1S/C11H14BrN5O/c1-3-17-9(14-6-15-17)5-16-4-8(13)7(2)10(12)11(16)18/h4,6H,3,5,13H2,1-2H3
InChIKeyWQDFQZSKNAIYHY-UHFFFAOYSA-N
XLogP1.16
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one with MolForge

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Related Compounds

5-amino-3-bromo-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-4-methylpyridin-2-one
CID 104505777
5-amino-3-bromo-1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104797243
5-amino-3-bromo-1-[(3,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505889
5-amino-3-bromo-1-[(3,4-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 104505695
5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 104505641
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrazol-4-amine
CID 62694920
5-amino-3-bromo-1-[(3-chloro-4-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104505852
6-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 116788353
5-amino-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 103218301
5-amino-3-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methylpyridin-2-one
CID 104505797
5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 104505753
5-amino-3-bromo-1-(2,3-dihydroxypropyl)-4-methylpyridin-2-one
CID 104505895

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one (CID 104505818) is 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one is CCn1ncnc1Cn1cc(N)c(C)c(Br)c1=O.
What is the InChIKey of 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one?
The InChIKey is WQDFQZSKNAIYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-3-17-9(14-6-15-17)5-16-4-8(13)7(2)10(12)11(16)18/h4,6H,3,5,13H2,1-2H3.
What are the key properties of 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one?
5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one has a molecular weight of 312.17 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 104505818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).