2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one

C15H23N3O2 — CID 96565359

IUPAC2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CC(C)(C)C2(C)C)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-6-9-18-12(19)8-7-11(16-18)13(20)17-10-14(2,3)15(17,4)5/h7-8H,6,9-10H2,1-5H3
InChIKeyKESAZHPTBGICAQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.91
Rot. Bonds3

About 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one

2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one (PubChem CID 96565359) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one
PubChem CID96565359
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CC(C)(C)C2(C)C)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-6-9-18-12(19)8-7-11(16-18)13(20)17-10-14(2,3)15(17,4)5/h7-8H,6,9-10H2,1-5H3
InChIKeyKESAZHPTBGICAQ-UHFFFAOYSA-N
XLogP1.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603756
N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 78956966
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
6-[2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 75431167
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
CID 42162075
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one (CID 96565359) is 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one is CCCn1nc(C(=O)N2CC(C)(C)C2(C)C)ccc1=O.
What is the InChIKey of 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one?
The InChIKey is KESAZHPTBGICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-6-9-18-12(19)8-7-11(16-18)13(20)17-10-14(2,3)15(17,4)5/h7-8H,6,9-10H2,1-5H3.
What are the key properties of 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one?
2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 96565359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).