N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide

C9H14N4O2S — CID 136829666

IUPACN'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
SMILESCC(O)C(C)Sc1nnccc1/C(N)=N/O
InChIInChI=1S/C9H14N4O2S/c1-5(14)6(2)16-9-7(8(10)13-15)3-4-11-12-9/h3-6,14-15H,1-2H3,(H2,10,13)
InChIKeyURXVLTQGDOOUIF-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.43
Rot. Bonds4

About N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide

N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide (PubChem CID 136829666) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
PubChem CID136829666
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
SMILESCC(O)C(C)Sc1nnccc1/C(N)=N/O
InChIInChI=1S/C9H14N4O2S/c1-5(14)6(2)16-9-7(8(10)13-15)3-4-11-12-9/h3-6,14-15H,1-2H3,(H2,10,13)
InChIKeyURXVLTQGDOOUIF-UHFFFAOYSA-N
XLogP0.43
TPSA104.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
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-pyridin-4-ylsulfanylpyridazine-4-carboximidamide
CID 168908867
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridazine-4-carboximidamide
CID 175896938
2-[4-[(Z)-N'-hydroxycarbamimidoyl]pyridazin-3-yl]sulfanyl-N-propan-2-ylacetamide
CID 136980174
N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 136829663
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136829662
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)quinoline-4-carboximidamide
CID 136829654
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
CID 175897067
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
3-(2,4-dimethyl-1,4-diazepan-1-yl)-N'-hydroxypyridazine-4-carboximidamide
CID 136726374
5-bromo-N'-hydroxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 114893539
N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
CID 76916444

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide (CID 136829666) is N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide is CC(O)C(C)Sc1nnccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide?
The InChIKey is URXVLTQGDOOUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-5(14)6(2)16-9-7(8(10)13-15)3-4-11-12-9/h3-6,14-15H,1-2H3,(H2,10,13).
What are the key properties of N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide?
N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide has a molecular weight of 242.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide is sourced from PubChem (CID 136829666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).