3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one

C10H14ClN3O — CID 130654869

IUPAC3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one
SMILESCC1CCCN1c1cc(=O)c(Cl)nn1C
InChIInChI=1S/C10H14ClN3O/c1-7-4-3-5-14(7)9-6-8(15)10(11)12-13(9)2/h6-7H,3-5H2,1-2H3
InChIKeyYBZGCQRBAMDYNR-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.42
Rot. Bonds1

About 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one

3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one (PubChem CID 130654869) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one.

Molecular Properties

Compound Name3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one
PubChem CID130654869
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one
SMILESCC1CCCN1c1cc(=O)c(Cl)nn1C
InChIInChI=1S/C10H14ClN3O/c1-7-4-3-5-14(7)9-6-8(15)10(11)12-13(9)2/h6-7H,3-5H2,1-2H3
InChIKeyYBZGCQRBAMDYNR-UHFFFAOYSA-N
XLogP1.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one?
The IUPAC name of 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one (CID 130654869) is 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one.
What is the SMILES notation for 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one?
The canonical SMILES for 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one is CC1CCCN1c1cc(=O)c(Cl)nn1C.
What is the InChIKey of 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one?
The InChIKey is YBZGCQRBAMDYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-3-5-14(7)9-6-8(15)10(11)12-13(9)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one?
3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one has a molecular weight of 227.69 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-6-(2-methylpyrrolidin-1-yl)pyridazin-4-one is sourced from PubChem (CID 130654869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).