7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione

C9H7F3N4S — CID 168951071

IUPAC7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione
SMILESFC(F)(F)c1nc(=S)n2[nH]c(C3CC3)cc2n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)7-13-6-3-5(4-1-2-4)15-16(6)8(17)14-7/h3-4,15H,1-2H2
InChIKeyXHQMGVNFQASEIK-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.68
Rot. Bonds1

About 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione

7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione (PubChem CID 168951071) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione.

Molecular Properties

Compound Name7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione
PubChem CID168951071
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione
SMILESFC(F)(F)c1nc(=S)n2[nH]c(C3CC3)cc2n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)7-13-6-3-5(4-1-2-4)15-16(6)8(17)14-7/h3-4,15H,1-2H2
InChIKeyXHQMGVNFQASEIK-UHFFFAOYSA-N
XLogP2.68
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione?
The IUPAC name of 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione (CID 168951071) is 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione.
What is the SMILES notation for 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione?
The canonical SMILES for 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione is FC(F)(F)c1nc(=S)n2[nH]c(C3CC3)cc2n1.
What is the InChIKey of 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione?
The InChIKey is XHQMGVNFQASEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)7-13-6-3-5(4-1-2-4)15-16(6)8(17)14-7/h3-4,15H,1-2H2.
What are the key properties of 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione?
7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione has a molecular weight of 260.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-4-thione is sourced from PubChem (CID 168951071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).