3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

C13H21N5O — CID 136820485

IUPAC3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N2CC(C)CC2C)c(C(N)=NO)c1C
InChIInChI=1S/C13H21N5O/c1-7-5-8(2)18(6-7)13-11(12(14)17-19)9(3)10(4)15-16-13/h7-8,19H,5-6H2,1-4H3,(H2,14,17)
InChIKeyXNOWPZNORXZADP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds2

About 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 136820485) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID136820485
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(N2CC(C)CC2C)c(C(N)=NO)c1C
InChIInChI=1S/C13H21N5O/c1-7-5-8(2)18(6-7)13-11(12(14)17-19)9(3)10(4)15-16-13/h7-8,19H,5-6H2,1-4H3,(H2,14,17)
InChIKeyXNOWPZNORXZADP-UHFFFAOYSA-N
XLogP1.42
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
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-5,6-dimethyl-3-(3-methylmorpholin-4-yl)pyridazine-4-carboximidamide
CID 136924818
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carboximidamide
CID 114593496
5,6-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)pyridazine-4-carbothioamide
CID 114593343
N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 136914270
N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide
CID 136924844
2-bromo-6-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883357
N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 136811804
2-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930021
3-(1,1-dioxo-1,4-thiazepan-4-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136733794
5,6-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carbothioamide
CID 79928245
2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177320
[3-(2,4-dimethylpiperidin-1-yl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 55061848

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (CID 136820485) is 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is Cc1nnc(N2CC(C)CC2C)c(C(N)=NO)c1C.
What is the InChIKey of 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is XNOWPZNORXZADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-7-5-8(2)18(6-7)13-11(12(14)17-19)9(3)10(4)15-16-13/h7-8,19H,5-6H2,1-4H3,(H2,14,17).
What are the key properties of 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 136820485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).