3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile

C13H9N5OS — CID 103336137

IUPAC3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2nc(NN)nc3sccc23)c1
InChIInChI=1S/C13H9N5OS/c14-7-8-2-1-3-9(6-8)19-11-10-4-5-20-12(10)17-13(16-11)18-15/h1-6H,15H2,(H,16,17,18)
InChIKeyWOMZHRWPOLPLFG-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.64
Rot. Bonds3

About 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile

3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (PubChem CID 103336137) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
PubChem CID103336137
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2nc(NN)nc3sccc23)c1
InChIInChI=1S/C13H9N5OS/c14-7-8-2-1-3-9(6-8)19-11-10-4-5-20-12(10)17-13(16-11)18-15/h1-6H,15H2,(H,16,17,18)
InChIKeyWOMZHRWPOLPLFG-UHFFFAOYSA-N
XLogP2.64
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-bromophenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336191
3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336136
[4-(3-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336156
3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80917818
[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336141
[4-(4-bromo-3,5-dimethylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107727417
3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 103331695
[4-(2-propan-2-ylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336205
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
[4-(3-methylbutan-2-yloxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336370

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile (CID 103336137) is 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is N#Cc1cccc(Oc2nc(NN)nc3sccc23)c1.
What is the InChIKey of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
The InChIKey is WOMZHRWPOLPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c14-7-8-2-1-3-9(6-8)19-11-10-4-5-20-12(10)17-13(16-11)18-15/h1-6H,15H2,(H,16,17,18).
What are the key properties of 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile?
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile has a molecular weight of 283.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 103336137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).