5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H5F3N4O — CID 760804

IUPAC5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc2ncnn12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)8-4-6(7-2-1-3-18-7)16-9-14-5-15-17(8)9/h1-5H
InChIKeyZFSKCJDFZQDJCK-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.40
Rot. Bonds1

About 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 760804) has the molecular formula C10H5F3N4O and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID760804
Molecular FormulaC10H5F3N4O
Molecular Weight254.17 g/mol
Exact Mass254.04
IUPAC Name5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc(-c2ccco2)nc2ncnn12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)8-4-6(7-2-1-3-18-7)16-9-14-5-15-17(8)9/h1-5H
InChIKeyZFSKCJDFZQDJCK-UHFFFAOYSA-N
XLogP2.40
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 6485369
5-(2-Furyl)-2-[(4-phenyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1102034
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
5-(Furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2056940
4-(2-furyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 1481666
1-[4-(2-furyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
CID 1481670
3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1068704
1-Azepanyl[5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1102035
7-(Furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1476956
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3962313
Azepan-1-yl[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1111056
7-(2-Furyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-ylamine
CID 2764124

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 760804) is 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1cc(-c2ccco2)nc2ncnn12.
What is the InChIKey of 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZFSKCJDFZQDJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O/c11-10(12,13)8-4-6(7-2-1-3-18-7)16-9-14-5-15-17(8)9/h1-5H.
What are the key properties of 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 254.17 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 760804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).