2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one

C16H20N4O3 — CID 7665774

IUPAC2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
SMILESCCN(CC)CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C16H20N4O3/c1-3-18(4-2)10-11-19-16(21)9-8-15(17-19)13-6-5-7-14(12-13)20(22)23/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyXJWHGMCKCFJAMG-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.16
Rot. Bonds7

About 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one

2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one (PubChem CID 7665774) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
PubChem CID7665774
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
SMILESCCN(CC)CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O
InChIInChI=1S/C16H20N4O3/c1-3-18(4-2)10-11-19-16(21)9-8-15(17-19)13-6-5-7-14(12-13)20(22)23/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyXJWHGMCKCFJAMG-UHFFFAOYSA-N
XLogP2.16
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroprop-2-enyl)-6-(3-nitrophenyl)pyridazin-3-one
CID 71864720
2-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 94744429
2-[(3-nitrophenyl)methyl]-6-phenylpyridazin-3-one
CID 7659667
6-(1,3-benzodioxol-5-yl)-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 7664039
2-ethyl-6-(3-nitrophenyl)-3-oxopyridazine-4-carbonyl chloride
CID 82445285
N-(3-acetamidophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665621
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
6-(3-nitrophenyl)-2-(quinolin-8-ylmethyl)pyridazin-3-one
CID 48925101
N-(2,4-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665589
N-(2,5-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665571
N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376567
6-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)methyl]pyridazin-3-one
CID 7663929

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one (CID 7665774) is 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one is CCN(CC)CCn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one?
The InChIKey is XJWHGMCKCFJAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-18(4-2)10-11-19-16(21)9-8-15(17-19)13-6-5-7-14(12-13)20(22)23/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one?
2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one has a molecular weight of 316.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 7665774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).