2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide

C12H11N5O2S — CID 63580694

IUPAC2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nnc2ccccn12
InChIInChI=1S/C12H11N5O2S/c13-14-11(18)8-4-6-19-9(8)7-20-12-16-15-10-3-1-2-5-17(10)12/h1-6H,7,13H2,(H,14,18)
InChIKeyDVVUPKFYXUIFET-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.22
Rot. Bonds4

About 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63580694) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63580694
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nnc2ccccn12
InChIInChI=1S/C12H11N5O2S/c13-14-11(18)8-4-6-19-9(8)7-20-12-16-15-10-3-1-2-5-17(10)12/h1-6H,7,13H2,(H,14,18)
InChIKeyDVVUPKFYXUIFET-UHFFFAOYSA-N
XLogP1.22
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carboxylate
CID 51072366
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581538
N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]furan-2-carbohydrazide
CID 9373294
[5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062084
2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581694
2-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581699
ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzoate
CID 2379528
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 63581803
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide (CID 63580694) is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1nnc2ccccn12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is DVVUPKFYXUIFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-14-11(18)8-4-6-19-9(8)7-20-12-16-15-10-3-1-2-5-17(10)12/h1-6H,7,13H2,(H,14,18).
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide?
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 289.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63580694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).