5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide

C9H9N5OS — CID 107378459

IUPAC5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2ccsc2)cn1
InChIInChI=1S/C9H9N5OS/c10-14-8-4-11-7(3-12-8)9(15)13-6-1-2-16-5-6/h1-5H,10H2,(H,12,14)(H,13,15)
InChIKeyCISTUNDUKGXGPM-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.08
Rot. Bonds3

About 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide

5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide (PubChem CID 107378459) has the molecular formula C9H9N5OS and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide
PubChem CID107378459
Molecular FormulaC9H9N5OS
Molecular Weight235.27 g/mol
Exact Mass235.05
IUPAC Name5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)Nc2ccsc2)cn1
InChIInChI=1S/C9H9N5OS/c10-14-8-4-11-7(3-12-8)9(15)13-6-1-2-16-5-6/h1-5H,10H2,(H,12,14)(H,13,15)
InChIKeyCISTUNDUKGXGPM-UHFFFAOYSA-N
XLogP1.08
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide?
The IUPAC name of 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide (CID 107378459) is 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide is NNc1cnc(C(=O)Nc2ccsc2)cn1.
What is the InChIKey of 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide?
The InChIKey is CISTUNDUKGXGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS/c10-14-8-4-11-7(3-12-8)9(15)13-6-1-2-16-5-6/h1-5H,10H2,(H,12,14)(H,13,15).
What are the key properties of 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide?
5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-thiophen-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 107378459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).