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

C12H9ClN6S — CID 107060954

IUPAC3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2nnc3ccccn23)c1Cl
InChIInChI=1S/C12H9ClN6S/c13-9-7(10(14)15)4-5-16-11(9)20-12-18-17-8-3-1-2-6-19(8)12/h1-6H,(H3,14,15)
InChIKeyDMDGVRQCTABODI-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.21
Rot. Bonds3

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

3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 107060954) has the molecular formula C12H9ClN6S and a molecular weight of 304.77 g/mol. Its IUPAC name is 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID107060954
Molecular FormulaC12H9ClN6S
Molecular Weight304.77 g/mol
Exact Mass304.03
IUPAC Name3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2nnc3ccccn23)c1Cl
InChIInChI=1S/C12H9ClN6S/c13-9-7(10(14)15)4-5-16-11(9)20-12-18-17-8-3-1-2-6-19(8)12/h1-6H,(H3,14,15)
InChIKeyDMDGVRQCTABODI-UHFFFAOYSA-N
XLogP2.21
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.21
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-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55126639
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
CID 55126545
3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
CID 107060940
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107060942
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid
CID 62849134
2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline
CID 62849821
3-chloro-2-[(3-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 107060952
7-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinoline
CID 9110629
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 80970201
5-nitro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 112724176
3-chloro-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridine-4-carboximidamide
CID 107060313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide (CID 107060954) is 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Sc2nnc3ccccn23)c1Cl.
What is the InChIKey of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is DMDGVRQCTABODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN6S/c13-9-7(10(14)15)4-5-16-11(9)20-12-18-17-8-3-1-2-6-19(8)12/h1-6H,(H3,14,15).
What are the key properties of 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide?
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 304.77 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 107060954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).