N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide

C9H10N6OS — CID 136925035

IUPACN'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide
SMILESCc1nc(Sc2cc(/C(N)=N/O)ccn2)n[nH]1
InChIInChI=1S/C9H10N6OS/c1-5-12-9(14-13-5)17-7-4-6(2-3-11-7)8(10)15-16/h2-4,16H,1H3,(H2,10,15)(H,12,13,14)
InChIKeyGVNLUUMOESQFRN-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.75
Rot. Bonds3

About N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide

N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide (PubChem CID 136925035) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide
PubChem CID136925035
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC NameN'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide
SMILESCc1nc(Sc2cc(/C(N)=N/O)ccn2)n[nH]1
InChIInChI=1S/C9H10N6OS/c1-5-12-9(14-13-5)17-7-4-6(2-3-11-7)8(10)15-16/h2-4,16H,1H3,(H2,10,15)(H,12,13,14)
InChIKeyGVNLUUMOESQFRN-UHFFFAOYSA-N
XLogP0.75
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.75
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-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenecarboximidamide
CID 76935082
4-chloro-N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 76984922
4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80891874
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136829662
N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875360
N'-hydroxy-5,6-dimethyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
CID 136925036
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013920
N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazole-4-carboximidamide
CID 76952292
2-fluoro-N'-hydroxypyridine-4-carboximidamide
CID 137242090
N'-hydroxy-2-(methylamino)pyridine-4-carboximidamide
CID 155272131
2-[(4-chlorophenyl)methylsulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136981715
3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 56828521

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide (CID 136925035) is N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide is Cc1nc(Sc2cc(/C(N)=N/O)ccn2)n[nH]1.
What is the InChIKey of N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide?
The InChIKey is GVNLUUMOESQFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c1-5-12-9(14-13-5)17-7-4-6(2-3-11-7)8(10)15-16/h2-4,16H,1H3,(H2,10,15)(H,12,13,14).
What are the key properties of N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide?
N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide has a molecular weight of 250.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboximidamide is sourced from PubChem (CID 136925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).