2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one

C13H19ClN4O2 — CID 106258403

IUPAC2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCN(C)C2=O)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-3-4-6-18-13(20)11(14)10(8-15-18)16-9-5-7-17(2)12(9)19/h8-9,16H,3-7H2,1-2H3
InChIKeyZFQBCXOYPQYDGQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.34
Rot. Bonds5

About 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one

2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one (PubChem CID 106258403) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
PubChem CID106258403
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCN(C)C2=O)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-3-4-6-18-13(20)11(14)10(8-15-18)16-9-5-7-17(2)12(9)19/h8-9,16H,3-7H2,1-2H3
InChIKeyZFQBCXOYPQYDGQ-UHFFFAOYSA-N
XLogP1.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106258520
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041
2-butyl-4-chloro-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438991
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
CID 114439041
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one (CID 106258403) is 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one is CCCCn1ncc(NC2CCN(C)C2=O)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The InChIKey is ZFQBCXOYPQYDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-3-4-6-18-13(20)11(14)10(8-15-18)16-9-5-7-17(2)12(9)19/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one has a molecular weight of 298.77 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106258403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).