4-(2-ethoxyethylamino)-1H-pyridazin-6-one

C8H13N3O2 — CID 114391849

IUPAC4-(2-ethoxyethylamino)-1H-pyridazin-6-one
SMILESCCOCCNc1cn[nH]c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-2-13-4-3-9-7-5-8(12)11-10-6-7/h5-6H,2-4H2,1H3,(H2,9,11,12)
InChIKeyKDTCRWUUZGSMBT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.22
Rot. Bonds5

About 4-(2-ethoxyethylamino)-1H-pyridazin-6-one

4-(2-ethoxyethylamino)-1H-pyridazin-6-one (PubChem CID 114391849) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)-1H-pyridazin-6-one
PubChem CID114391849
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(2-ethoxyethylamino)-1H-pyridazin-6-one
SMILESCCOCCNc1cn[nH]c(=O)c1
InChIInChI=1S/C8H13N3O2/c1-2-13-4-3-9-7-5-8(12)11-10-6-7/h5-6H,2-4H2,1H3,(H2,9,11,12)
InChIKeyKDTCRWUUZGSMBT-UHFFFAOYSA-N
XLogP0.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylbutylamino)-1H-pyridazin-6-one
CID 114391891
4-(4-propan-2-yloxybutylamino)-1H-pyridazin-6-one
CID 106016840
ethyl 2-[(6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114391976
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
3-[(6-oxo-1H-pyridazin-4-yl)amino]propanamide
CID 114391962
4-(pentan-3-ylamino)-1H-pyridazin-6-one
CID 114391867
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
4-(cyclopropylmethylamino)-1H-pyridazin-6-one
CID 114391872
4-[2-(4-fluorophenyl)ethylamino]-1H-pyridazin-6-one
CID 114391879
4-(cyclohexylmethylamino)-1H-pyridazin-6-one
CID 114391944
4-[(2-methylcyclopropyl)methylamino]-1H-pyridazin-6-one
CID 114392466

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-ethoxyethylamino)-1H-pyridazin-6-one (CID 114391849) is 4-(2-ethoxyethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-ethoxyethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-ethoxyethylamino)-1H-pyridazin-6-one is CCOCCNc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(2-ethoxyethylamino)-1H-pyridazin-6-one?
The InChIKey is KDTCRWUUZGSMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-13-4-3-9-7-5-8(12)11-10-6-7/h5-6H,2-4H2,1H3,(H2,9,11,12).
What are the key properties of 4-(2-ethoxyethylamino)-1H-pyridazin-6-one?
4-(2-ethoxyethylamino)-1H-pyridazin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114391849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).