2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one

C12H16BrN5O — CID 103218474

IUPAC2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCCn1nc(C)c(Br)c1Cn1ncc(NC)cc1=O
InChIInChI=1S/C12H16BrN5O/c1-4-17-10(12(13)8(2)16-17)7-18-11(19)5-9(14-3)6-15-18/h5-6,14H,4,7H2,1-3H3
InChIKeyLVIZFHIFFLZQJS-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.62
Rot. Bonds4

About 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one

2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218474) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218474
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
SMILESCCn1nc(C)c(Br)c1Cn1ncc(NC)cc1=O
InChIInChI=1S/C12H16BrN5O/c1-4-17-10(12(13)8(2)16-17)7-18-11(19)5-9(14-3)6-15-18/h5-6,14H,4,7H2,1-3H3
InChIKeyLVIZFHIFFLZQJS-UHFFFAOYSA-N
XLogP1.62
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218806
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
5-(2-aminoethylamino)-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridazin-3-one
CID 103221139
4-bromo-5-[(3,5-dibromopyrazol-1-yl)methyl]-1-ethyl-3-methylpyrazole
CID 114692746
2-[(3-bromophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218557
2-[(2-bromo-3-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218695
2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
CID 103218516
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218683
2-[(2-fluorophenyl)methyl]-5-(methylamino)pyridazin-3-one
CID 103218493
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-(propylamino)pyridazin-3-one
CID 103220377
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81310041

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one (CID 103218474) is 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one is CCn1nc(C)c(Br)c1Cn1ncc(NC)cc1=O.
What is the InChIKey of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is LVIZFHIFFLZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-4-17-10(12(13)8(2)16-17)7-18-11(19)5-9(14-3)6-15-18/h5-6,14H,4,7H2,1-3H3.
What are the key properties of 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one?
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 326.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).