[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C5H5F3N4 — CID 1268079

IUPAC[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12)
InChIKeyXQCAINVUBSAUBJ-UHFFFAOYSA-N
MW178.12 g/mol
LogP0.78
Rot. Bonds1

About [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 1268079) has the molecular formula C5H5F3N4 and a molecular weight of 178.12 g/mol. Its IUPAC name is [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID1268079
Molecular FormulaC5H5F3N4
Molecular Weight178.12 g/mol
Exact Mass178.05
IUPAC Name[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12)
InChIKeyXQCAINVUBSAUBJ-UHFFFAOYSA-N
XLogP0.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 50.78
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)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 1268079) is [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is XQCAINVUBSAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12).
What are the key properties of [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 178.12 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 1268079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).