[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

C9H9F3N4S — CID 79965201

IUPAC[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CCC(F)(F)F)nc2sccc12
InChIInChI=1S/C9H9F3N4S/c10-9(11,12)3-1-6-14-7(16-13)5-2-4-17-8(5)15-6/h2,4H,1,3,13H2,(H,14,15,16)
InChIKeyCXJXUBNAWIIERZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.47
Rot. Bonds3

About [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 79965201) has the molecular formula C9H9F3N4S and a molecular weight of 262.26 g/mol. Its IUPAC name is [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID79965201
Molecular FormulaC9H9F3N4S
Molecular Weight262.26 g/mol
Exact Mass262.05
IUPAC Name[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CCC(F)(F)F)nc2sccc12
InChIInChI=1S/C9H9F3N4S/c10-9(11,12)3-1-6-14-7(16-13)5-2-4-17-8(5)15-6/h2,4H,1,3,13H2,(H,14,15,16)
InChIKeyCXJXUBNAWIIERZ-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 79965201) is [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(CCC(F)(F)F)nc2sccc12.
What is the InChIKey of [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is CXJXUBNAWIIERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4S/c10-9(11,12)3-1-6-14-7(16-13)5-2-4-17-8(5)15-6/h2,4H,1,3,13H2,(H,14,15,16).
What are the key properties of [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 262.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79965201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).