[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C8H8F3N7O — CID 106776501

IUPAC[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCn1cnc(Oc2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H8F3N7O/c1-18-3-13-7(17-18)19-5-2-4(16-12)14-6(15-5)8(9,10)11/h2-3H,12H2,1H3,(H,14,15,16)
InChIKeySSWLSGZTNCFZHB-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.70
Rot. Bonds3

About [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776501) has the molecular formula C8H8F3N7O and a molecular weight of 275.19 g/mol. Its IUPAC name is [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776501
Molecular FormulaC8H8F3N7O
Molecular Weight275.19 g/mol
Exact Mass275.07
IUPAC Name[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCn1cnc(Oc2cc(NN)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C8H8F3N7O/c1-18-3-13-7(17-18)19-5-2-4(16-12)14-6(15-5)8(9,10)11/h2-3H,12H2,1H3,(H,14,15,16)
InChIKeySSWLSGZTNCFZHB-UHFFFAOYSA-N
XLogP0.70
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774851
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
[6-(2-methoxyethoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776329
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 106776341
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776489
[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776470
4-bromo-2-tert-butyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyrimidine
CID 106597003
3-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypropan-1-ol
CID 106776344

Frequently Asked Questions

What is the IUPAC name of [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776501) is [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is Cn1cnc(Oc2cc(NN)nc(C(F)(F)F)n2)n1.
What is the InChIKey of [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is SSWLSGZTNCFZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7O/c1-18-3-13-7(17-18)19-5-2-4(16-12)14-6(15-5)8(9,10)11/h2-3H,12H2,1H3,(H,14,15,16).
What are the key properties of [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 275.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).