N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide

C10H9N5OS — CID 168908867

IUPACN'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide
SMILESN/C(=N\O)c1ccnnc1Sc1ccncc1
InChIInChI=1S/C10H9N5OS/c11-9(15-16)8-3-6-13-14-10(8)17-7-1-4-12-5-2-7/h1-6,16H,(H2,11,15)
InChIKeyZMKDGLXARRKXSE-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.12
Rot. Bonds3

About N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide

N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide (PubChem CID 168908867) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide
PubChem CID168908867
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC NameN'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide
SMILESN/C(=N\O)c1ccnnc1Sc1ccncc1
InChIInChI=1S/C10H9N5OS/c11-9(15-16)8-3-6-13-14-10(8)17-7-1-4-12-5-2-7/h1-6,16H,(H2,11,15)
InChIKeyZMKDGLXARRKXSE-UHFFFAOYSA-N
XLogP1.12
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.12
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-3-(4-methoxyphenyl)sulfanylpyridazine-4-carboximidamide
CID 175896938
N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136829666
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
CID 175897067
N'-hydroxy-3-phenylsulfanylpyrazine-2-carboximidamide
CID 172625571
2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide
CID 136980174
3-(4-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515661
N'-hydroxy-2-phenylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916568
3-(3-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515673
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
N'-hydroxy-3-(1,3-oxazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136914225
3-chloro-2-(3-fluorophenyl)sulfanyl-N'-hydroxypyridine-4-carboximidamide
CID 136739884
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide (CID 168908867) is N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide is N/C(=N\O)c1ccnnc1Sc1ccncc1.
What is the InChIKey of N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide?
The InChIKey is ZMKDGLXARRKXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c11-9(15-16)8-3-6-13-14-10(8)17-7-1-4-12-5-2-7/h1-6,16H,(H2,11,15).
What are the key properties of N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide?
N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide has a molecular weight of 247.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide is sourced from PubChem (CID 168908867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).