N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide

C10H16N4O2 — CID 136924927

IUPACN'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide
SMILESCCCOc1nnc(C)c(C)c1/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-4-5-16-10-8(9(11)14-15)6(2)7(3)12-13-10/h15H,4-5H2,1-3H3,(H2,11,14)
InChIKeyQRPHIFXSVYVQKV-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.98
Rot. Bonds4

About N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide

N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide (PubChem CID 136924927) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide
PubChem CID136924927
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide
SMILESCCCOc1nnc(C)c(C)c1/C(N)=N/O
InChIInChI=1S/C10H16N4O2/c1-4-5-16-10-8(9(11)14-15)6(2)7(3)12-13-10/h15H,4-5H2,1-3H3,(H2,11,14)
InChIKeyQRPHIFXSVYVQKV-UHFFFAOYSA-N
XLogP0.98
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.98
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-methylbutoxy)pyridazine-4-carboximidamide
CID 136924886
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924889
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
CID 136924888
3-(2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924854
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
3-(3,4-dichlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924935
3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924866
3-(4-bromo-2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924911
N'-hydroxy-3-[1-hydroxypropan-2-yl(methyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
CID 136951845
N'-hydroxy-5,6-dimethyl-3-(3-methylbutylsulfanyl)pyridazine-4-carboximidamide
CID 136806077
N'-hydroxy-5,6-dimethyl-3-(3-methylbutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136927694
3-[bis(2-hydroxyethyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924679

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide (CID 136924927) is N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide is CCCOc1nnc(C)c(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide?
The InChIKey is QRPHIFXSVYVQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-5-16-10-8(9(11)14-15)6(2)7(3)12-13-10/h15H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide has a molecular weight of 224.26 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide is sourced from PubChem (CID 136924927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).