4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

C10H14N4O2 — CID 135937033

IUPAC4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCC2)c(/C=N\O)c1=O
InChIInChI=1S/C10H14N4O2/c1-13-10(15)8(6-12-16)9(7-11-13)14-4-2-3-5-14/h6-7,16H,2-5H2,1H3/b12-6-
InChIKeyQHSFAAGVSSABSD-SDQBBNPISA-N
MW222.25 g/mol
LogP0.19
Rot. Bonds2

About 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 135937033) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID135937033
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCC2)c(/C=N\O)c1=O
InChIInChI=1S/C10H14N4O2/c1-13-10(15)8(6-12-16)9(7-11-13)14-4-2-3-5-14/h6-7,16H,2-5H2,1H3/b12-6-
InChIKeyQHSFAAGVSSABSD-SDQBBNPISA-N
XLogP0.19
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[(E)-hydroxyiminomethyl]-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 135985492
2-Methyl-3-oxo-5-pyrrolidin-1-ylpyridazine-4-carbonitrile
CID 46848988
4-[(E)-hydroxyiminomethyl]-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 135985496
4-(Hydroxyiminomethyl)-2-methyl-5-piperidin-1-ylpyridazin-3-one
CID 136647894
4-(Hydroxyiminomethyl)-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 136656134

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (CID 135937033) is 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is Cn1ncc(N2CCCC2)c(/C=N\O)c1=O.
What is the InChIKey of 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is QHSFAAGVSSABSD-SDQBBNPISA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-10(15)8(6-12-16)9(7-11-13)14-4-2-3-5-14/h6-7,16H,2-5H2,1H3/b12-6-.
What are the key properties of 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 222.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hydroxyiminomethyl]-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 135937033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).