[6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C8H7F3N6S — CID 107785348

IUPAC[6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N6S/c9-8(10,11)6-15-4(17-12)3-5(16-6)18-7-13-1-2-14-7/h1-3H,12H2,(H,13,14)(H,15,16,17)
InChIKeyKUYZEJXLSIFQGD-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.66
Rot. Bonds3

About [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 107785348) has the molecular formula C8H7F3N6S and a molecular weight of 276.25 g/mol. Its IUPAC name is [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID107785348
Molecular FormulaC8H7F3N6S
Molecular Weight276.25 g/mol
Exact Mass276.04
IUPAC Name[6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C8H7F3N6S/c9-8(10,11)6-15-4(17-12)3-5(16-6)18-7-13-1-2-14-7/h1-3H,12H2,(H,13,14)(H,15,16,17)
InChIKeyKUYZEJXLSIFQGD-UHFFFAOYSA-N
XLogP1.66
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 107785348) is [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(Sc2ncc[nH]2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is KUYZEJXLSIFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N6S/c9-8(10,11)6-15-4(17-12)3-5(16-6)18-7-13-1-2-14-7/h1-3H,12H2,(H,13,14)(H,15,16,17).
What are the key properties of [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 276.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-imidazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 107785348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).