1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one

C13H16N6O4 — CID 133447554

IUPAC1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one
SMILESCC(Nc1ccc2ncc([N+](=O)[O-])n2n1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16N6O4/c1-9(13(20)17-4-6-23-7-5-17)15-10-2-3-11-14-8-12(19(21)22)18(11)16-10/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyLVHUVKCDJAVQOR-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.30
Rot. Bonds4

About 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one

1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one (PubChem CID 133447554) has the molecular formula C13H16N6O4 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one
PubChem CID133447554
Molecular FormulaC13H16N6O4
Molecular Weight320.31 g/mol
Exact Mass320.12
IUPAC Name1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one
SMILESCC(Nc1ccc2ncc([N+](=O)[O-])n2n1)C(=O)N1CCOCC1
InChIInChI=1S/C13H16N6O4/c1-9(13(20)17-4-6-23-7-5-17)15-10-2-3-11-14-8-12(19(21)22)18(11)16-10/h2-3,8-9H,4-7H2,1H3,(H,15,16)
InChIKeyLVHUVKCDJAVQOR-UHFFFAOYSA-N
XLogP0.30
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133419569
2-(2-methyl-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 115571728
(2R)-1-morpholin-4-yl-2-[(6-propan-2-yloxy-3-pyridinyl)amino]propan-1-one
CID 95579028
3-nitro-N-[1-(2-pyrazol-1-ylphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420153
3-nitro-N-[1-(oxolan-3-yl)piperidin-4-yl]imidazo[1,2-b]pyridazin-6-amine
CID 133421298
1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
CID 78777112
3-[[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]methyl]pentan-1-ol
CID 133419413
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112689350
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
2-[(3-bromo-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 104777234
(2R)-1-[4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 133486323

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one (CID 133447554) is 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one is CC(Nc1ccc2ncc([N+](=O)[O-])n2n1)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one?
The InChIKey is LVHUVKCDJAVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O4/c1-9(13(20)17-4-6-23-7-5-17)15-10-2-3-11-14-8-12(19(21)22)18(11)16-10/h2-3,8-9H,4-7H2,1H3,(H,15,16).
What are the key properties of 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one?
1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one has a molecular weight of 320.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)amino]propan-1-one is sourced from PubChem (CID 133447554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).