N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide

C12H19N5O2 — CID 136716196

IUPACN'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide
SMILESCOC1(C)CCCN(c2nnccc2/C(N)=N/O)C1
InChIInChI=1S/C12H19N5O2/c1-12(19-2)5-3-7-17(8-12)11-9(10(13)16-18)4-6-14-15-11/h4,6,18H,3,5,7-8H2,1-2H3,(H2,13,16)
InChIKeySBLOTWZSJRZLMJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.58
Rot. Bonds3

About N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide

N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide (PubChem CID 136716196) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide
PubChem CID136716196
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide
SMILESCOC1(C)CCCN(c2nnccc2/C(N)=N/O)C1
InChIInChI=1S/C12H19N5O2/c1-12(19-2)5-3-7-17(8-12)11-9(10(13)16-18)4-6-14-15-11/h4,6,18H,3,5,7-8H2,1-2H3,(H2,13,16)
InChIKeySBLOTWZSJRZLMJ-UHFFFAOYSA-N
XLogP0.58
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide (CID 136716196) is N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide is COC1(C)CCCN(c2nnccc2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide?
The InChIKey is SBLOTWZSJRZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-12(19-2)5-3-7-17(8-12)11-9(10(13)16-18)4-6-14-15-11/h4,6,18H,3,5,7-8H2,1-2H3,(H2,13,16).
What are the key properties of N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide?
N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide has a molecular weight of 265.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 136716196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).