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

C14H16N4O2S — CID 136924952

IUPACN'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
SMILESCOc1cccc(Sc2nnc(C)c(C)c2/C(N)=N/O)c1
InChIInChI=1S/C14H16N4O2S/c1-8-9(2)16-17-14(12(8)13(15)18-19)21-11-6-4-5-10(7-11)20-3/h4-7,19H,1-3H3,(H2,15,18)
InChIKeyHYSNEWYCNDULTJ-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.35
Rot. Bonds4

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

N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 136924952) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID136924952
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
SMILESCOc1cccc(Sc2nnc(C)c(C)c2/C(N)=N/O)c1
InChIInChI=1S/C14H16N4O2S/c1-8-9(2)16-17-14(12(8)13(15)18-19)21-11-6-4-5-10(7-11)20-3/h4-7,19H,1-3H3,(H2,15,18)
InChIKeyHYSNEWYCNDULTJ-UHFFFAOYSA-N
XLogP2.35
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide (CID 136924952) is N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide is COc1cccc(Sc2nnc(C)c(C)c2/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is HYSNEWYCNDULTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-9(2)16-17-14(12(8)13(15)18-19)21-11-6-4-5-10(7-11)20-3/h4-7,19H,1-3H3,(H2,15,18).
What are the key properties of N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide?
N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 304.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methoxyphenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 136924952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).