2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one

C14H17N3O — CID 20977323

IUPAC2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one
SMILESCC(N(C)C)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C14H17N3O/c1-11(16(2)3)17-14(18)10-9-13(15-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyFLCDBOWBKPJCNA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds3

About 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one

2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one (PubChem CID 20977323) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one
PubChem CID20977323
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one
SMILESCC(N(C)C)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C14H17N3O/c1-11(16(2)3)17-14(18)10-9-13(15-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyFLCDBOWBKPJCNA-UHFFFAOYSA-N
XLogP1.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one (CID 20977323) is 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one is CC(N(C)C)n1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one?
The InChIKey is FLCDBOWBKPJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(16(2)3)17-14(18)10-9-13(15-17)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one?
2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)ethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 20977323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).