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

C16H18N4O2 — CID 100666593

IUPAC6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCN(C)C1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18N4O2/c1-18(2)13-10-19(11-13)16(22)14-8-9-15(21)20(17-14)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3
InChIKeyKIYORZRAJRWIAR-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.62
Rot. Bonds3

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

6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 100666593) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one
PubChem CID100666593
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCN(C)C1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18N4O2/c1-18(2)13-10-19(11-13)16(22)14-8-9-15(21)20(17-14)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3
InChIKeyKIYORZRAJRWIAR-UHFFFAOYSA-N
XLogP0.62
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one (CID 100666593) is 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one is CN(C)C1CN(C(=O)c2ccc(=O)n(-c3ccccc3)n2)C1.
What is the InChIKey of 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is KIYORZRAJRWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-18(2)13-10-19(11-13)16(22)14-8-9-15(21)20(17-14)12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one?
6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 298.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 100666593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).