5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide

C10H10N4O2S — CID 55212713

IUPAC5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2cnccn2)c1
InChIInChI=1S/C10H10N4O2S/c11-14-10(15)7-3-8(16-5-7)6-17-9-4-12-1-2-13-9/h1-5H,6,11H2,(H,14,15)
InChIKeyAKISCNVTGGPQAL-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.97
Rot. Bonds4

About 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide

5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 55212713) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID55212713
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CSc2cnccn2)c1
InChIInChI=1S/C10H10N4O2S/c11-14-10(15)7-3-8(16-5-7)6-17-9-4-12-1-2-13-9/h1-5H,6,11H2,(H,14,15)
InChIKeyAKISCNVTGGPQAL-UHFFFAOYSA-N
XLogP0.97
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 55212713) is 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1coc(CSc2cnccn2)c1.
What is the InChIKey of 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is AKISCNVTGGPQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-14-10(15)7-3-8(16-5-7)6-17-9-4-12-1-2-13-9/h1-5H,6,11H2,(H,14,15).
What are the key properties of 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide?
5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 250.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 55212713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).