2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one

C13H16N4O — CID 147180179

IUPAC2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCN(C)CCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C13H16N4O/c1-16(2)8-9-17-13(18)6-5-12(15-17)11-4-3-7-14-10-11/h3-7,10H,8-9H2,1-2H3
InChIKeyBZLDBKGVPOEGSU-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.87
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one

2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 147180179) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID147180179
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
SMILESCN(C)CCn1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C13H16N4O/c1-16(2)8-9-17-13(18)6-5-12(15-17)11-4-3-7-14-10-11/h3-7,10H,8-9H2,1-2H3
InChIKeyBZLDBKGVPOEGSU-UHFFFAOYSA-N
XLogP0.87
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-6-pyridin-3-ylpyridazin-3-one
CID 52903522
2-methoxy-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
CID 42142535
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052352
5-[2-(dimethylamino)ethyl]-2-pyridin-3-ylpyrazolo[1,5-a]pyrazin-4-one
CID 171146201
2-[2-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915614
2-[3-(3-methylphenyl)sulfonylpropyl]-6-pyridin-3-ylpyridazin-3-one
CID 167910490
2-[2-[4-[(6-methylpyrazin-2-yl)methyl]piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915649
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052463
4-iodo-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]benzenesulfonamide
CID 42143740
N-(6-methyl-2-pyridinyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one (CID 147180179) is 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one is CN(C)CCn1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is BZLDBKGVPOEGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16(2)8-9-17-13(18)6-5-12(15-17)11-4-3-7-14-10-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one?
2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 244.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 147180179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).