5-hydrazinylthiophene-2-carbonitrile

C5H5N3S — CID 59843317

IUPAC5-hydrazinylthiophene-2-carbonitrile
SMILESN#Cc1ccc(NN)s1
InChIInChI=1S/C5H5N3S/c6-3-4-1-2-5(8-7)9-4/h1-2,8H,7H2
InChIKeyUIZGAFKSFMZLAU-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.91
Rot. Bonds1

About 5-hydrazinylthiophene-2-carbonitrile

5-hydrazinylthiophene-2-carbonitrile (PubChem CID 59843317) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 5-hydrazinylthiophene-2-carbonitrile.

Molecular Properties

Compound Name5-hydrazinylthiophene-2-carbonitrile
PubChem CID59843317
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name5-hydrazinylthiophene-2-carbonitrile
SMILESN#Cc1ccc(NN)s1
InChIInChI=1S/C5H5N3S/c6-3-4-1-2-5(8-7)9-4/h1-2,8H,7H2
InChIKeyUIZGAFKSFMZLAU-UHFFFAOYSA-N
XLogP0.91
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-hydrazinylthiophene-2-carbonitrile?
The IUPAC name of 5-hydrazinylthiophene-2-carbonitrile (CID 59843317) is 5-hydrazinylthiophene-2-carbonitrile.
What is the SMILES notation for 5-hydrazinylthiophene-2-carbonitrile?
The canonical SMILES for 5-hydrazinylthiophene-2-carbonitrile is N#Cc1ccc(NN)s1.
What is the InChIKey of 5-hydrazinylthiophene-2-carbonitrile?
The InChIKey is UIZGAFKSFMZLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c6-3-4-1-2-5(8-7)9-4/h1-2,8H,7H2.
What are the key properties of 5-hydrazinylthiophene-2-carbonitrile?
5-hydrazinylthiophene-2-carbonitrile has a molecular weight of 139.18 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinylthiophene-2-carbonitrile is sourced from PubChem (CID 59843317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).