2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile

C10H9N5OS — CID 2782193

IUPAC2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2cccs2)c(C#N)c1=O
InChIInChI=1S/C10H9N5OS/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,12H2,1H3,(H,13,14)
InChIKeyRIBAEUDYLJKJNG-UHFFFAOYSA-N
MW247.28 g/mol
LogP0.67
Rot. Bonds2

About 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile

2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile (PubChem CID 2782193) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile
PubChem CID2782193
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2cccs2)c(C#N)c1=O
InChIInChI=1S/C10H9N5OS/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,12H2,1H3,(H,13,14)
InChIKeyRIBAEUDYLJKJNG-UHFFFAOYSA-N
XLogP0.67
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', '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 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile (CID 2782193) is 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile is Cn1c(NN)nc(-c2cccs2)c(C#N)c1=O.
What is the InChIKey of 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile?
The InChIKey is RIBAEUDYLJKJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-15-9(16)6(5-11)8(13-10(15)14-12)7-3-2-4-17-7/h2-4H,12H2,1H3,(H,13,14).
What are the key properties of 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile?
2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile has a molecular weight of 247.28 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-1-methyl-6-oxo-4-thiophen-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2782193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).