3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one

C15H16ClN3O — CID 155953692

IUPAC3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one
SMILESCC1C(c2ccccc2)CCN1c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C15H16ClN3O/c1-10-12(11-5-3-2-4-6-11)7-8-19(10)13-9-14(16)17-18-15(13)20/h2-6,9-10,12H,7-8H2,1H3,(H,18,20)
InChIKeyAGHXULGCZBHIJB-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.81
Rot. Bonds2

About 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one

3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one (PubChem CID 155953692) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one
PubChem CID155953692
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one
SMILESCC1C(c2ccccc2)CCN1c1cc(Cl)n[nH]c1=O
InChIInChI=1S/C15H16ClN3O/c1-10-12(11-5-3-2-4-6-11)7-8-19(10)13-9-14(16)17-18-15(13)20/h2-6,9-10,12H,7-8H2,1H3,(H,18,20)
InChIKeyAGHXULGCZBHIJB-UHFFFAOYSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one (CID 155953692) is 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one is CC1C(c2ccccc2)CCN1c1cc(Cl)n[nH]c1=O.
What is the InChIKey of 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is AGHXULGCZBHIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-12(11-5-3-2-4-6-11)7-8-19(10)13-9-14(16)17-18-15(13)20/h2-6,9-10,12H,7-8H2,1H3,(H,18,20).
What are the key properties of 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one?
3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 289.77 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-methyl-3-phenylpyrrolidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 155953692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).