N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide

C14H16N4OS — CID 136924949

IUPACN'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide
SMILESCc1ccc(Sc2nnc(C)c(C)c2/C(N)=N/O)cc1
InChIInChI=1S/C14H16N4OS/c1-8-4-6-11(7-5-8)20-14-12(13(15)18-19)9(2)10(3)16-17-14/h4-7,19H,1-3H3,(H2,15,18)
InChIKeyFZNUXPFCGULAMQ-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.65
Rot. Bonds3

About N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide

N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide (PubChem CID 136924949) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide
PubChem CID136924949
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide
SMILESCc1ccc(Sc2nnc(C)c(C)c2/C(N)=N/O)cc1
InChIInChI=1S/C14H16N4OS/c1-8-4-6-11(7-5-8)20-14-12(13(15)18-19)9(2)10(3)16-17-14/h4-7,19H,1-3H3,(H2,15,18)
InChIKeyFZNUXPFCGULAMQ-UHFFFAOYSA-N
XLogP2.65
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.65
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-methylbutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136927694
N'-hydroxy-5,6-dimethyl-3-(3-methylbutylsulfanyl)pyridazine-4-carboximidamide
CID 136806077
N'-hydroxy-5,6-dimethyl-3-(4-methylphenoxy)pyridazine-4-carboximidamide
CID 136924888
N'-hydroxy-5,6-dimethyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
CID 136925036
2-fluoro-N'-hydroxy-6-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 78981401
N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 81281971
N'-hydroxy-5,6-dimethyl-3-(2-methyloxolan-3-yl)sulfanylpyridazine-4-carboximidamide
CID 136806017
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 113228227
N'-hydroxy-5,6-dimethyl-3-(N-methylanilino)pyridazine-4-carboximidamide
CID 136924769
N'-hydroxy-5,6-dimethyl-3-propoxypyridazine-4-carboximidamide
CID 136924927
N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide
CID 136924844
2-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177139

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide (CID 136924949) is N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide is Cc1ccc(Sc2nnc(C)c(C)c2/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide?
The InChIKey is FZNUXPFCGULAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-8-4-6-11(7-5-8)20-14-12(13(15)18-19)9(2)10(3)16-17-14/h4-7,19H,1-3H3,(H2,15,18).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide has a molecular weight of 288.38 g/mol, XLogP of 2.65, 3 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-(4-methylphenyl)sulfanylpyridazine-4-carboximidamide is sourced from PubChem (CID 136924949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).