[2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C10H13F3N4 — CID 79964167

IUPAC[2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C10H13F3N4/c11-10(12,13)5-4-8-15-7-3-1-2-6(7)9(16-8)17-14/h1-5,14H2,(H,15,16,17)
InChIKeyKGCFDUMFYLLHGF-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.75
Rot. Bonds3

About [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 79964167) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID79964167
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name[2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CCC(F)(F)F)nc2c1CCC2
InChIInChI=1S/C10H13F3N4/c11-10(12,13)5-4-8-15-7-3-1-2-6(7)9(16-8)17-14/h1-5,14H2,(H,15,16,17)
InChIKeyKGCFDUMFYLLHGF-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 79964167) is [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(CCC(F)(F)F)nc2c1CCC2.
What is the InChIKey of [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is KGCFDUMFYLLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)5-4-8-15-7-3-1-2-6(7)9(16-8)17-14/h1-5,14H2,(H,15,16,17).
What are the key properties of [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 246.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79964167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).