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

C10H15ClN4O — CID 115611032

IUPAC4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-14-4-3-7(6-14)13-8-5-12-15(2)10(16)9(8)11/h5,7,13H,3-4,6H2,1-2H3
InChIKeyNLASRWBIBRTOBX-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.55
Rot. Bonds2

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

4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one (PubChem CID 115611032) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one
PubChem CID115611032
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C10H15ClN4O/c1-14-4-3-7(6-14)13-8-5-12-15(2)10(16)9(8)11/h5,7,13H,3-4,6H2,1-2H3
InChIKeyNLASRWBIBRTOBX-UHFFFAOYSA-N
XLogP0.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one (CID 115611032) is 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one is CN1CCC(Nc2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one?
The InChIKey is NLASRWBIBRTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-14-4-3-7(6-14)13-8-5-12-15(2)10(16)9(8)11/h5,7,13H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one has a molecular weight of 242.71 g/mol, XLogP of 0.55, 2 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-[(1-methylpyrrolidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 115611032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).