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

C8H9F3N4 — CID 82192474

IUPAC[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc2c(c(C(F)(F)F)n1)CCC2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)6-4-2-1-3-5(4)13-7(14-6)15-12/h1-3,12H2,(H,13,14,15)
InChIKeyJTVSLAXUKVBFRL-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.27
Rot. Bonds1

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

[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine (PubChem CID 82192474) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine
PubChem CID82192474
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine
SMILESNNc1nc2c(c(C(F)(F)F)n1)CCC2
InChIInChI=1S/C8H9F3N4/c9-8(10,11)6-4-2-1-3-5(4)13-7(14-6)15-12/h1-3,12H2,(H,13,14,15)
InChIKeyJTVSLAXUKVBFRL-UHFFFAOYSA-N
XLogP1.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.27
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 [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine (CID 82192474) is [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine is NNc1nc2c(c(C(F)(F)F)n1)CCC2.
What is the InChIKey of [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine?
The InChIKey is JTVSLAXUKVBFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c9-8(10,11)6-4-2-1-3-5(4)13-7(14-6)15-12/h1-3,12H2,(H,13,14,15).
What are the key properties of [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine?
[4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine has a molecular weight of 218.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 82192474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).