2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one

C17H21N3O — CID 44539969

IUPAC2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one
SMILESCn1nc(-c2ccc(CCN3CCCC3)cc2)ccc1=O
InChIInChI=1S/C17H21N3O/c1-19-17(21)9-8-16(18-19)15-6-4-14(5-7-15)10-13-20-11-2-3-12-20/h4-9H,2-3,10-13H2,1H3
InChIKeyLDXDTQGGVQBLFC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.09
Rot. Bonds4

About 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one

2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one (PubChem CID 44539969) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one
PubChem CID44539969
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one
SMILESCn1nc(-c2ccc(CCN3CCCC3)cc2)ccc1=O
InChIInChI=1S/C17H21N3O/c1-19-17(21)9-8-16(18-19)15-6-4-14(5-7-15)10-13-20-11-2-3-12-20/h4-9H,2-3,10-13H2,1H3
InChIKeyLDXDTQGGVQBLFC-UHFFFAOYSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one (CID 44539969) is 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one is Cn1nc(-c2ccc(CCN3CCCC3)cc2)ccc1=O.
What is the InChIKey of 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one?
The InChIKey is LDXDTQGGVQBLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-17(21)9-8-16(18-19)15-6-4-14(5-7-15)10-13-20-11-2-3-12-20/h4-9H,2-3,10-13H2,1H3.
What are the key properties of 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one?
2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one has a molecular weight of 283.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one is sourced from PubChem (CID 44539969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).