6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide

C11H12N6O3S — CID 103471063

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCc1cc(Sc2ncc(/C(N)=N/O)cc2[N+](=O)[O-])n(C)n1
InChIInChI=1S/C11H12N6O3S/c1-6-3-9(16(2)14-6)21-11-8(17(19)20)4-7(5-13-11)10(12)15-18/h3-5,18H,1-2H3,(H2,12,15)
InChIKeyZYHOQVMNYFAPEB-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.28
Rot. Bonds4

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103471063) has the molecular formula C11H12N6O3S and a molecular weight of 308.32 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103471063
Molecular FormulaC11H12N6O3S
Molecular Weight308.32 g/mol
Exact Mass308.07
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESCc1cc(Sc2ncc(/C(N)=N/O)cc2[N+](=O)[O-])n(C)n1
InChIInChI=1S/C11H12N6O3S/c1-6-3-9(16(2)14-6)21-11-8(17(19)20)4-7(5-13-11)10(12)15-18/h3-5,18H,1-2H3,(H2,12,15)
InChIKeyZYHOQVMNYFAPEB-UHFFFAOYSA-N
XLogP1.28
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922582
N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
CID 103471011
N'-hydroxy-6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyridine-3-carboximidamide
CID 107749603
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952356
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxypyrimidine-4-carboximidamide
CID 136678433
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566
6-(3,4-dimethylpiperazin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470430
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470626
N'-hydroxy-6-[methyl(propyl)amino]-5-nitropyridine-3-carboximidamide
CID 103470281
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470406

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103471063) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide is Cc1cc(Sc2ncc(/C(N)=N/O)cc2[N+](=O)[O-])n(C)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is ZYHOQVMNYFAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3S/c1-6-3-9(16(2)14-6)21-11-8(17(19)20)4-7(5-13-11)10(12)15-18/h3-5,18H,1-2H3,(H2,12,15).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 308.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103471063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).