N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide

C11H15N5O2 — CID 113439455

IUPACN'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C11H15N5O2/c12-10(15-18)8-2-5-16(6-3-8)11(17)9-1-4-13-14-7-9/h1,4,7-8,18H,2-3,5-6H2,(H2,12,15)
InChIKeyKDMSPUAQQUUXTK-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.08
Rot. Bonds2

About N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide (PubChem CID 113439455) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
PubChem CID113439455
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C11H15N5O2/c12-10(15-18)8-2-5-16(6-3-8)11(17)9-1-4-13-14-7-9/h1,4,7-8,18H,2-3,5-6H2,(H2,12,15)
InChIKeyKDMSPUAQQUUXTK-UHFFFAOYSA-N
XLogP0.08
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77135123
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038922
1-(3-bromo-4-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 81476577
(3-bromopyrrolidin-1-yl)-pyridazin-4-ylmethanone
CID 104672542
[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
(4-chloro-3-methylpiperidin-1-yl)-pyridazin-4-ylmethanone
CID 114682903
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
CID 77042423
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide (CID 113439455) is N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide is N/C(=N/O)C1CCN(C(=O)c2ccnnc2)CC1.
What is the InChIKey of N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide?
The InChIKey is KDMSPUAQQUUXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-10(15-18)8-2-5-16(6-3-8)11(17)9-1-4-13-14-7-9/h1,4,7-8,18H,2-3,5-6H2,(H2,12,15).
What are the key properties of N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide has a molecular weight of 249.27 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 113439455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).