2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione

C12H19N3O3 — CID 165354298

IUPAC2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione
SMILESCCCCn1[nH]c(=O)cc(N2CCOCC2)c1=O
InChIInChI=1S/C12H19N3O3/c1-2-3-4-15-12(17)10(9-11(16)13-15)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyVEWVQCBUWUFDHJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.17
Rot. Bonds4

About 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione

2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione (PubChem CID 165354298) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione
PubChem CID165354298
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione
SMILESCCCCn1[nH]c(=O)cc(N2CCOCC2)c1=O
InChIInChI=1S/C12H19N3O3/c1-2-3-4-15-12(17)10(9-11(16)13-15)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyVEWVQCBUWUFDHJ-UHFFFAOYSA-N
XLogP0.17
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-tert-butylmorpholine-4-carbonyl]-2-methyl-1H-pyrazol-3-one
CID 125536541
2-methyl-5-(morpholine-4-carbonyl)-1H-pyrazol-3-one
CID 22118185
5-(Morpholine-4-carbonyl)-1,2-dihydropyrazol-3-one
CID 57712978
2-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-one
CID 118690658
1,2-Dihydro-4-(4-morpholinyl)-3,6-pyridazinedione
CID 154141975
3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]-N,N-di(propan-2-yl)but-2-enamide
CID 4226185
N-butan-2-yl-3-[2-(2-morpholin-4-yl-2-oxoacetyl)hydrazinyl]but-2-enamide
CID 4565778
2-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53525995
2-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 71899325
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 71941541
2-(5-amino-2-oxo-1-pyridinyl)-N-morpholin-4-ylacetamide
CID 83013123
2-[2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 95286332

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione (CID 165354298) is 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione is CCCCn1[nH]c(=O)cc(N2CCOCC2)c1=O.
What is the InChIKey of 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione?
The InChIKey is VEWVQCBUWUFDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-2-3-4-15-12(17)10(9-11(16)13-15)14-5-7-18-8-6-14/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione?
2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione has a molecular weight of 253.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-morpholin-4-yl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 165354298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).