6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one

C11H15N3O3 — CID 63106592

IUPAC6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CC(O)C2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-2-5-14-10(16)4-3-9(12-14)11(17)13-6-8(15)7-13/h3-4,8,15H,2,5-7H2,1H3
InChIKeyGUCHRRVVUASSHR-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.53
Rot. Bonds3

About 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one

6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one (PubChem CID 63106592) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
PubChem CID63106592
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CC(O)C2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-2-5-14-10(16)4-3-9(12-14)11(17)13-6-8(15)7-13/h3-4,8,15H,2,5-7H2,1H3
InChIKeyGUCHRRVVUASSHR-UHFFFAOYSA-N
XLogP-0.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603756
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046
2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64604161
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806
2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one
CID 96565359
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 18143303
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
CID 121066845
6-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 97028133
6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 55466009
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 55879910
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one (CID 63106592) is 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CC(O)C2)ccc1=O.
What is the InChIKey of 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one?
The InChIKey is GUCHRRVVUASSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-5-14-10(16)4-3-9(12-14)11(17)13-6-8(15)7-13/h3-4,8,15H,2,5-7H2,1H3.
What are the key properties of 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one?
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 63106592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).