N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide

C9H10N6O3S — CID 136971745

IUPACN'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide
SMILESCS(=O)(=O)c1cccnc1-n1cnc(/C(N)=N/O)n1
InChIInChI=1S/C9H10N6O3S/c1-19(17,18)6-3-2-4-11-9(6)15-5-12-8(13-15)7(10)14-16/h2-5,16H,1H3,(H2,10,14)
InChIKeyUNFRYCIMZVRQDA-UHFFFAOYSA-N
MW282.29 g/mol
LogP-0.84
Rot. Bonds3

About N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide

N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide (PubChem CID 136971745) has the molecular formula C9H10N6O3S and a molecular weight of 282.29 g/mol. Its IUPAC name is N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide
PubChem CID136971745
Molecular FormulaC9H10N6O3S
Molecular Weight282.29 g/mol
Exact Mass282.05
IUPAC NameN'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide
SMILESCS(=O)(=O)c1cccnc1-n1cnc(/C(N)=N/O)n1
InChIInChI=1S/C9H10N6O3S/c1-19(17,18)6-3-2-4-11-9(6)15-5-12-8(13-15)7(10)14-16/h2-5,16H,1H3,(H2,10,14)
InChIKeyUNFRYCIMZVRQDA-UHFFFAOYSA-N
XLogP-0.84
TPSA136.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-0.84
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylpyrazol-1-yl)-3-methylsulfonylpyridine
CID 114600203
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)pyrazole-4-carboxylic acid
CID 114599482
N'-hydroxy-1-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)-1,2,4-triazole-3-carboximidamide
CID 136675875
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
2-(3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24710006
2-methyl-2-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598733
N'-hydroxy-2-pyrazol-1-ylpyridine-3-carboximidamide
CID 24693678
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
7-(3-methylsulfonyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 114598308
methyl 1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxylate
CID 114599507
1-tert-butyl-N-[(3-methylsulfonyl-2-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 167969544
2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide (CID 136971745) is N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide is CS(=O)(=O)c1cccnc1-n1cnc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide?
The InChIKey is UNFRYCIMZVRQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3S/c1-19(17,18)6-3-2-4-11-9(6)15-5-12-8(13-15)7(10)14-16/h2-5,16H,1H3,(H2,10,14).
What are the key properties of N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide?
N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide has a molecular weight of 282.29 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-methylsulfonyl-2-pyridinyl)-1,2,4-triazole-3-carboximidamide is sourced from PubChem (CID 136971745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).