4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one

C10H14N4O3 — CID 135937034

IUPAC4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCn1ncc(N2CCOCC2)c(/C=N/O)c1=O
InChIInChI=1S/C10H14N4O3/c1-13-10(15)8(6-12-16)9(7-11-13)14-2-4-17-5-3-14/h6-7,16H,2-5H2,1H3/b12-6+
InChIKeySBMFGWBINMMEHT-WUXMJOGZSA-N
MW238.25 g/mol
LogP-0.57
Rot. Bonds2

About 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one

4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one (PubChem CID 135937034) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one
PubChem CID135937034
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one
SMILESCn1ncc(N2CCOCC2)c(/C=N/O)c1=O
InChIInChI=1S/C10H14N4O3/c1-13-10(15)8(6-12-16)9(7-11-13)14-2-4-17-5-3-14/h6-7,16H,2-5H2,1H3/b12-6+
InChIKeySBMFGWBINMMEHT-WUXMJOGZSA-N
XLogP-0.57
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde
CID 14969898
4-(Aminomethyl)-2-methyl-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 46848992
2-Methyl-5-morpholin-4-yl-3-oxopyridazine-4-carbonitrile
CID 46848989
4-Methanimidoyl-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
CID 88898617
4-[(E)-hydroxyiminomethyl]-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 135985496
4-[(E)-hydroxyiminomethyl]-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
CID 135985497
4-(Hydroxyiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
CID 136595506
4-(Hydroxyiminomethyl)-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 136656134
4-(Iodoiminomethyl)-2,5-dimethyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-one
CID 163477108
2-Ethyl-5-morpholin-4-yl-3-oxopyridazine-4-carbaldehyde
CID 172410414

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one (CID 135937034) is 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one is Cn1ncc(N2CCOCC2)c(/C=N/O)c1=O.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is SBMFGWBINMMEHT-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-13-10(15)8(6-12-16)9(7-11-13)14-2-4-17-5-3-14/h6-7,16H,2-5H2,1H3/b12-6+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one?
4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 238.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]-2-methyl-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 135937034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).