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

C9H10N6S — CID 104603201

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Sc1ncnn1C
InChIInChI=1S/C9H10N6S/c1-15-9(13-5-14-15)16-8-6(7(10)11)3-2-4-12-8/h2-5H,1H3,(H3,10,11)
InChIKeyQSUGKPCYIVPWRQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.65
Rot. Bonds3

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

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide (PubChem CID 104603201) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
PubChem CID104603201
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1Sc1ncnn1C
InChIInChI=1S/C9H10N6S/c1-15-9(13-5-14-15)16-8-6(7(10)11)3-2-4-12-8/h2-5H,1H3,(H3,10,11)
InChIKeyQSUGKPCYIVPWRQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide (CID 104603201) is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1Sc1ncnn1C.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
The InChIKey is QSUGKPCYIVPWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c1-15-9(13-5-14-15)16-8-6(7(10)11)3-2-4-12-8/h2-5H,1H3,(H3,10,11).
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide?
2-[(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 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboximidamide is sourced from PubChem (CID 104603201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).