[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine

C10H8F3N5S — CID 80930751

IUPAC[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2ccc(C(F)(F)F)cn2)ncn1
InChIInChI=1S/C10H8F3N5S/c11-10(12,13)6-1-2-8(15-4-6)19-9-3-7(18-14)16-5-17-9/h1-5H,14H2,(H,16,17,18)
InChIKeyKILHHOFNBISDCX-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.33
Rot. Bonds3

About [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine

[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine (PubChem CID 80930751) has the molecular formula C10H8F3N5S and a molecular weight of 287.27 g/mol. Its IUPAC name is [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
PubChem CID80930751
Molecular FormulaC10H8F3N5S
Molecular Weight287.27 g/mol
Exact Mass287.05
IUPAC Name[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Sc2ccc(C(F)(F)F)cn2)ncn1
InChIInChI=1S/C10H8F3N5S/c11-10(12,13)6-1-2-8(15-4-6)19-9-3-7(18-14)16-5-17-9/h1-5H,14H2,(H,16,17,18)
InChIKeyKILHHOFNBISDCX-UHFFFAOYSA-N
XLogP2.33
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
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-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine (CID 80930751) is [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine is NNc1cc(Sc2ccc(C(F)(F)F)cn2)ncn1.
What is the InChIKey of [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
The InChIKey is KILHHOFNBISDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5S/c11-10(12,13)6-1-2-8(15-4-6)19-9-3-7(18-14)16-5-17-9/h1-5H,14H2,(H,16,17,18).
What are the key properties of [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine?
[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine has a molecular weight of 287.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).