5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one

C15H17N3O2 — CID 119067143

IUPAC5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O2/c1-20-12-6-4-11(5-7-12)14-13(10-16-17-15(14)19)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyISPLMUOFYBSQTL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.05
Rot. Bonds3

About 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one

5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one (PubChem CID 119067143) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
PubChem CID119067143
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESCOc1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1
InChIInChI=1S/C15H17N3O2/c1-20-12-6-4-11(5-7-12)14-13(10-16-17-15(14)19)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,17,19)
InChIKeyISPLMUOFYBSQTL-UHFFFAOYSA-N
XLogP2.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one (CID 119067143) is 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one is COc1ccc(-c2c(N3CCCC3)cn[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The InChIKey is ISPLMUOFYBSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-20-12-6-4-11(5-7-12)14-13(10-16-17-15(14)19)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3,(H,17,19).
What are the key properties of 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one has a molecular weight of 271.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-pyrrolidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 119067143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).