4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one

C11H15ClN4O2 — CID 47149136

IUPAC4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
SMILESCn1ncc(NCC(=O)N2CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-15-11(18)10(12)8(6-14-15)13-7-9(17)16-4-2-3-5-16/h6,13H,2-5,7H2,1H3
InChIKeyQBTIFURESIXRCU-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.47
Rot. Bonds3

About 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one (PubChem CID 47149136) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
PubChem CID47149136
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
SMILESCn1ncc(NCC(=O)N2CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H15ClN4O2/c1-15-11(18)10(12)8(6-14-15)13-7-9(17)16-4-2-3-5-16/h6,13H,2-5,7H2,1H3
InChIKeyQBTIFURESIXRCU-UHFFFAOYSA-N
XLogP0.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220
4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
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4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
CID 103875740
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
CID 114417848

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one (CID 47149136) is 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one is Cn1ncc(NCC(=O)N2CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one?
The InChIKey is QBTIFURESIXRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-15-11(18)10(12)8(6-14-15)13-7-9(17)16-4-2-3-5-16/h6,13H,2-5,7H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one has a molecular weight of 270.72 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one is sourced from PubChem (CID 47149136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).