6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide

C12H10N6S — CID 55126545

IUPAC6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C12H10N6S/c13-11(14)8-4-5-10(15-7-8)19-12-17-16-9-3-1-2-6-18(9)12/h1-7H,(H3,13,14)
InChIKeyHPQRQIWBPYMOAT-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.56
Rot. Bonds3

About 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide

6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide (PubChem CID 55126545) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
PubChem CID55126545
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C12H10N6S/c13-11(14)8-4-5-10(15-7-8)19-12-17-16-9-3-1-2-6-18(9)12/h1-7H,(H3,13,14)
InChIKeyHPQRQIWBPYMOAT-UHFFFAOYSA-N
XLogP1.56
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.56
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 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide?
The IUPAC name of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide (CID 55126545) is 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide?
The canonical SMILES for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(Sc2nnc3ccccn23)nc1.
What is the InChIKey of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide?
The InChIKey is HPQRQIWBPYMOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S/c13-11(14)8-4-5-10(15-7-8)19-12-17-16-9-3-1-2-6-18(9)12/h1-7H,(H3,13,14).
What are the key properties of 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide?
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide has a molecular weight of 270.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide is sourced from PubChem (CID 55126545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).