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

C7H9F3N4 — CID 79964596

IUPAC[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(CCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)3-1-5-12-4-2-6(13-5)14-11/h2,4H,1,3,11H2,(H,12,13,14)
InChIKeyYQCNIXAHCSNBLB-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.26
Rot. Bonds3

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

[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine (PubChem CID 79964596) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is [2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
PubChem CID79964596
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine
SMILESNNc1ccnc(CCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)3-1-5-12-4-2-6(13-5)14-11/h2,4H,1,3,11H2,(H,12,13,14)
InChIKeyYQCNIXAHCSNBLB-UHFFFAOYSA-N
XLogP1.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.26
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)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine (CID 79964596) is [2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine is NNc1ccnc(CCC(F)(F)F)n1.
What is the InChIKey of [2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine?
The InChIKey is YQCNIXAHCSNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c8-7(9,10)3-1-5-12-4-2-6(13-5)14-11/h2,4H,1,3,11H2,(H,12,13,14).
What are the key properties of [2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine?
[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]hydrazine has a molecular weight of 206.17 g/mol, XLogP of 1.26, 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)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 79964596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).