6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide

C9H10N6S — CID 104603204

IUPAC6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncnn2C)nc1
InChIInChI=1S/C9H10N6S/c1-15-9(13-5-14-15)16-7-3-2-6(4-12-7)8(10)11/h2-5H,1H3,(H3,10,11)
InChIKeyALKQQOSUDICBSL-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.65
Rot. Bonds3

About 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 104603204) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID104603204
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ncnn2C)nc1
InChIInChI=1S/C9H10N6S/c1-15-9(13-5-14-15)16-7-3-2-6(4-12-7)8(10)11/h2-5H,1H3,(H3,10,11)
InChIKeyALKQQOSUDICBSL-UHFFFAOYSA-N
XLogP0.65
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.65
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'}

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Related Compounds

3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 104603206
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
CID 55126545
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603201
4-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzenecarboximidamide
CID 104603240
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60875812
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 113298644
4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
CID 104603214
5,6-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridazine-4-carboximidamide
CID 104603193
6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107750112
N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
CID 104604312
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboximidamide
CID 115478465
2-methyl-N-[[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-2-amine
CID 104604343

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide (CID 104603204) is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Sc2ncnn2C)nc1.
What is the InChIKey of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is ALKQQOSUDICBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c1-15-9(13-5-14-15)16-7-3-2-6(4-12-7)8(10)11/h2-5H,1H3,(H3,10,11).
What are the key properties of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide has a molecular weight of 234.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 104603204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).