4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one

C10H13BrN4O2 — CID 106191769

IUPAC4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCCn1ncc(NC2CNC(=O)C2)c(Br)c1=O
InChIInChI=1S/C10H13BrN4O2/c1-2-15-10(17)9(11)7(5-13-15)14-6-3-8(16)12-4-6/h5-6,14H,2-4H2,1H3,(H,12,16)
InChIKeyUUWUNELKALJXNX-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.33
Rot. Bonds3

About 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one

4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one (PubChem CID 106191769) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
PubChem CID106191769
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCCn1ncc(NC2CNC(=O)C2)c(Br)c1=O
InChIInChI=1S/C10H13BrN4O2/c1-2-15-10(17)9(11)7(5-13-15)14-6-3-8(16)12-4-6/h5-6,14H,2-4H2,1H3,(H,12,16)
InChIKeyUUWUNELKALJXNX-UHFFFAOYSA-N
XLogP0.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191911
4-bromo-5-[(6-oxopiperidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114437939
4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 115624182
methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate
CID 106191964
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
4-bromo-2-ethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridazin-3-one
CID 114438703
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-5-[(1-ethylpiperidin-4-yl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434748
5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444194
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one (CID 106191769) is 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one is CCn1ncc(NC2CNC(=O)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The InChIKey is UUWUNELKALJXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-2-15-10(17)9(11)7(5-13-15)14-6-3-8(16)12-4-6/h5-6,14H,2-4H2,1H3,(H,12,16).
What are the key properties of 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one has a molecular weight of 301.14 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106191769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).