6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one

C20H23N3O3 — CID 126939073

IUPAC6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H23N3O3/c24-20-6-4-16(14-2-3-14)22-23(20)18-12-25-11-17(18)21-10-13-1-5-19-15(9-13)7-8-26-19/h1,4-6,9,14,17-18,21H,2-3,7-8,10-12H2
InChIKeyDRSWTNGOUYOQRI-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.79
Rot. Bonds5

About 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one

6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126939073) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126939073
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1NCc1ccc2c(c1)CCO2
InChIInChI=1S/C20H23N3O3/c24-20-6-4-16(14-2-3-14)22-23(20)18-12-25-11-17(18)21-10-13-1-5-19-15(9-13)7-8-26-19/h1,4-6,9,14,17-18,21H,2-3,7-8,10-12H2
InChIKeyDRSWTNGOUYOQRI-UHFFFAOYSA-N
XLogP1.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939029
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)oxolan-3-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 126940514
6-cyclopropyl-2-[4-[(6-cyclopropylpyridazin-3-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939045
2-[4-[(4-methoxyphenyl)methylamino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939365
6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939086
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43804095
N-[4-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126940457
2-[4-(1,3-thiazol-5-ylmethylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939579
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939094
(2R,3S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 128973879
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-2-methylcyclopentan-1-amine
CID 64922539
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)oxolan-3-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 126938938

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one (CID 126939073) is 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1NCc1ccc2c(c1)CCO2.
What is the InChIKey of 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is DRSWTNGOUYOQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20-6-4-16(14-2-3-14)22-23(20)18-12-25-11-17(18)21-10-13-1-5-19-15(9-13)7-8-26-19/h1,4-6,9,14,17-18,21H,2-3,7-8,10-12H2.
What are the key properties of 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 353.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).