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

C14H11N5OS — CID 62246202

IUPAC4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2nc(NN)c3ccsc3n2)cc1
InChIInChI=1S/C14H11N5OS/c15-7-9-1-3-10(4-2-9)20-8-12-17-13(19-16)11-5-6-21-14(11)18-12/h1-6H,8,16H2,(H,17,18,19)
InChIKeyHVVKAYCDHPGYII-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.43
Rot. Bonds4

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

4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile (PubChem CID 62246202) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
PubChem CID62246202
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2nc(NN)c3ccsc3n2)cc1
InChIInChI=1S/C14H11N5OS/c15-7-9-1-3-10(4-2-9)20-8-12-17-13(19-16)11-5-6-21-14(11)18-12/h1-6H,8,16H2,(H,17,18,19)
InChIKeyHVVKAYCDHPGYII-UHFFFAOYSA-N
XLogP2.43
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile?
The IUPAC name of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile (CID 62246202) is 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile?
The canonical SMILES for 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile is N#Cc1ccc(OCc2nc(NN)c3ccsc3n2)cc1.
What is the InChIKey of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile?
The InChIKey is HVVKAYCDHPGYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c15-7-9-1-3-10(4-2-9)20-8-12-17-13(19-16)11-5-6-21-14(11)18-12/h1-6H,8,16H2,(H,17,18,19).
What are the key properties of 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile?
4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile has a molecular weight of 297.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methoxy]benzonitrile is sourced from PubChem (CID 62246202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).