N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide

C10H12N6O — CID 136924844

IUPACN'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide
SMILESCc1nnc(-n2cccn2)c(/C(N)=N/O)c1C
InChIInChI=1S/C10H12N6O/c1-6-7(2)13-14-10(8(6)9(11)15-17)16-5-3-4-12-16/h3-5,17H,1-2H3,(H2,11,15)
InChIKeyAEASECLZJDPPJY-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.37
Rot. Bonds2

About N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide

N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide (PubChem CID 136924844) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide
PubChem CID136924844
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide
SMILESCc1nnc(-n2cccn2)c(/C(N)=N/O)c1C
InChIInChI=1S/C10H12N6O/c1-6-7(2)13-14-10(8(6)9(11)15-17)16-5-3-4-12-16/h3-5,17H,1-2H3,(H2,11,15)
InChIKeyAEASECLZJDPPJY-UHFFFAOYSA-N
XLogP0.37
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.37
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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Related Compounds

N'-hydroxy-4,6-dimethyl-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 61175028
5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile
CID 55138325
N'-hydroxy-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 24693678
2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide
CID 79519881
N'-hydroxy-2-methyl-6-pyrazol-1-ylpyridine-4-carboximidamide
CID 137013664
N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
CID 136924769
3-(1,1-dioxo-1,4-thiazepan-4-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136733794
N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 136914270
N'-hydroxy-5,6-dimethyl-3-[methyl(2-methylpropyl)amino]pyridazine-4-carboximidamide
CID 136924807
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
CID 136924888
5-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 80853317
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide (CID 136924844) is N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide is Cc1nnc(-n2cccn2)c(/C(N)=N/O)c1C.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide?
The InChIKey is AEASECLZJDPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-6-7(2)13-14-10(8(6)9(11)15-17)16-5-3-4-12-16/h3-5,17H,1-2H3,(H2,11,15).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide has a molecular weight of 232.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide is sourced from PubChem (CID 136924844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).