3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

C13H13ClN4O2 — CID 136924866

IUPAC3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(Oc2cccc(Cl)c2)c(/C(N)=N/O)c1C
InChIInChI=1S/C13H13ClN4O2/c1-7-8(2)16-17-13(11(7)12(15)18-19)20-10-5-3-4-9(14)6-10/h3-6,19H,1-2H3,(H2,15,18)
InChIKeyNVSHYCLLSCDLDA-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.63
Rot. Bonds3

About 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 136924866) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID136924866
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCc1nnc(Oc2cccc(Cl)c2)c(/C(N)=N/O)c1C
InChIInChI=1S/C13H13ClN4O2/c1-7-8(2)16-17-13(11(7)12(15)18-19)20-10-5-3-4-9(14)6-10/h3-6,19H,1-2H3,(H2,15,18)
InChIKeyNVSHYCLLSCDLDA-UHFFFAOYSA-N
XLogP2.63
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.63
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

3-(3,4-dichlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924935
3-(3-chlorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098668
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-(4-bromo-2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924911
3-(3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 61098671
5,6-dimethyl-3-(3-methylphenoxy)pyridazine-4-carboximidamide
CID 61090670
3-[3-(dimethylamino)phenoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61229676
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
3-(4-chloro-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbothioamide
CID 82716797
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (CID 136924866) is 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is Cc1nnc(Oc2cccc(Cl)c2)c(/C(N)=N/O)c1C.
What is the InChIKey of 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is NVSHYCLLSCDLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-7-8(2)16-17-13(11(7)12(15)18-19)20-10-5-3-4-9(14)6-10/h3-6,19H,1-2H3,(H2,15,18).
What are the key properties of 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 292.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 136924866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).