O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine

C5H4F3N3O — CID 141403523

IUPACO-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine
SMILESNOc1ncncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-1-10-2-11-4(3)12-9/h1-2H,9H2
InChIKeyIGWQLBFBRZGXHF-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.75
Rot. Bonds1

About O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine

O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine (PubChem CID 141403523) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine.

Molecular Properties

Compound NameO-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine
PubChem CID141403523
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC NameO-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine
SMILESNOc1ncncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)3-1-10-2-11-4(3)12-9/h1-2H,9H2
InChIKeyIGWQLBFBRZGXHF-UHFFFAOYSA-N
XLogP0.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
The IUPAC name of O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine (CID 141403523) is O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine.
What is the SMILES notation for O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
The canonical SMILES for O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine is NOc1ncncc1C(F)(F)F.
What is the InChIKey of O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
The InChIKey is IGWQLBFBRZGXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)3-1-10-2-11-4(3)12-9/h1-2H,9H2.
What are the key properties of O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine?
O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine has a molecular weight of 179.10 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[5-(trifluoromethyl)pyrimidin-4-yl]hydroxylamine is sourced from PubChem (CID 141403523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).