4-hydrazinylthiophene-2-carbonitrile

C5H5N3S — CID 55281992

IUPAC4-hydrazinylthiophene-2-carbonitrile
SMILESN#Cc1cc(NN)cs1
InChIInChI=1S/C5H5N3S/c6-2-5-1-4(8-7)3-9-5/h1,3,8H,7H2
InChIKeyGKHABUREKHCLTD-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.91
Rot. Bonds1

About 4-hydrazinylthiophene-2-carbonitrile

4-hydrazinylthiophene-2-carbonitrile (PubChem CID 55281992) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 4-hydrazinylthiophene-2-carbonitrile.

Molecular Properties

Compound Name4-hydrazinylthiophene-2-carbonitrile
PubChem CID55281992
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name4-hydrazinylthiophene-2-carbonitrile
SMILESN#Cc1cc(NN)cs1
InChIInChI=1S/C5H5N3S/c6-2-5-1-4(8-7)3-9-5/h1,3,8H,7H2
InChIKeyGKHABUREKHCLTD-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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Related Compounds

3-Aminothiophene-2-carbonitrile
CID 10866327
5-Methylthiophen-3-amine
CID 6422232
3-Aminothiophene-2-carbonitrile hydrochloride
CID 12210214
3-Amino-5-methylthiophene-2-carbonitrile
CID 15570319
4-Aminothiophene-2-carbonitrile
CID 13134990
4-Aminothiophene-2-carbonitrile hydrochloride
CID 20503622
3-Amino-2-cyano-5-ethylthiophene
CID 27281498
(5-Methylthiophen-3-yl)hydrazine
CID 55281701
[5-(Chloromethyl)thiophen-3-yl]hydrazine
CID 57239316
Amino-(5-cyanothiophen-2-yl)azanium
CID 59843316
5-Hydrazinylthiophene-2-carbonitrile
CID 59843317
3,4-Diaminothiophene-2-carbonitrile
CID 66749991

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinylthiophene-2-carbonitrile?
The IUPAC name of 4-hydrazinylthiophene-2-carbonitrile (CID 55281992) is 4-hydrazinylthiophene-2-carbonitrile.
What is the SMILES notation for 4-hydrazinylthiophene-2-carbonitrile?
The canonical SMILES for 4-hydrazinylthiophene-2-carbonitrile is N#Cc1cc(NN)cs1.
What is the InChIKey of 4-hydrazinylthiophene-2-carbonitrile?
The InChIKey is GKHABUREKHCLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c6-2-5-1-4(8-7)3-9-5/h1,3,8H,7H2.
What are the key properties of 4-hydrazinylthiophene-2-carbonitrile?
4-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 4-hydrazinylthiophene-2-carbonitrile is sourced from PubChem (CID 55281992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).