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

C12H19N5O — CID 137012933

IUPACN'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide
SMILESCCCC1CCN(c2nnccc2/C(N)=N/O)C1
InChIInChI=1S/C12H19N5O/c1-2-3-9-5-7-17(8-9)12-10(11(13)16-18)4-6-14-15-12/h4,6,9,18H,2-3,5,7-8H2,1H3,(H2,13,16)
InChIKeyWWSVYQBQHPTJIY-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.20
Rot. Bonds4

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

N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide (PubChem CID 137012933) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide
PubChem CID137012933
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide
SMILESCCCC1CCN(c2nnccc2/C(N)=N/O)C1
InChIInChI=1S/C12H19N5O/c1-2-3-9-5-7-17(8-9)12-10(11(13)16-18)4-6-14-15-12/h4,6,9,18H,2-3,5,7-8H2,1H3,(H2,13,16)
InChIKeyWWSVYQBQHPTJIY-UHFFFAOYSA-N
XLogP1.20
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.20
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

N'-hydroxy-2-(3-propylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 136914286
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
3-(2,4-dimethyl-1,4-diazepan-1-yl)-N'-hydroxypyridazine-4-carboximidamide
CID 136726374
6-methyl-2-(3-propylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 113417646
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54985539
1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
CID 113418390
[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105383174
N'-hydroxy-2-[3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 115965334
2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 76945092
N'-hydroxy-3-(3-methoxy-3-methylpiperidin-1-yl)pyridazine-4-carboximidamide
CID 136716196

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide (CID 137012933) is N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide is CCCC1CCN(c2nnccc2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The InChIKey is WWSVYQBQHPTJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-3-9-5-7-17(8-9)12-10(11(13)16-18)4-6-14-15-12/h4,6,9,18H,2-3,5,7-8H2,1H3,(H2,13,16).
What are the key properties of N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-propylpyrrolidin-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 137012933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).