6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione

C6H3F3N4S — CID 135408619

IUPAC6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESFC(F)(F)c1nc(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C6H3F3N4S/c7-6(8,9)5-11-3-2(1-10-13-3)4(14)12-5/h1H,(H2,10,11,12,13,14)
InChIKeyFYZDBOWURLBXKV-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.03
Rot. Bonds

About 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione

6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (PubChem CID 135408619) has the molecular formula C6H3F3N4S and a molecular weight of 220.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
PubChem CID135408619
Molecular FormulaC6H3F3N4S
Molecular Weight220.18 g/mol
Exact Mass220.00
IUPAC Name6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione
SMILESFC(F)(F)c1nc(=S)c2cn[nH]c2[nH]1
InChIInChI=1S/C6H3F3N4S/c7-6(8,9)5-11-3-2(1-10-13-3)4(14)12-5/h1H,(H2,10,11,12,13,14)
InChIKeyFYZDBOWURLBXKV-UHFFFAOYSA-N
XLogP2.03
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The IUPAC name of 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione (CID 135408619) is 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione.
What is the SMILES notation for 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The canonical SMILES for 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione is FC(F)(F)c1nc(=S)c2cn[nH]c2[nH]1.
What is the InChIKey of 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
The InChIKey is FYZDBOWURLBXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4S/c7-6(8,9)5-11-3-2(1-10-13-3)4(14)12-5/h1H,(H2,10,11,12,13,14).
What are the key properties of 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione?
6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione has a molecular weight of 220.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,7-dihydropyrazolo[5,4-d]pyrimidine-4-thione is sourced from PubChem (CID 135408619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).