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

C11H4F6N4O — CID 9464099

IUPAC5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C11H4F6N4O/c12-10(13,14)7-4-5(6-2-1-3-22-6)18-9-19-8(11(15,16)17)20-21(7)9/h1-4H
InChIKeyFBXVAKCVSNRIKH-UHFFFAOYSA-N
MW322.17 g/mol
LogP3.42
Rot. Bonds1

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

5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 9464099) has the molecular formula C11H4F6N4O and a molecular weight of 322.17 g/mol. Its IUPAC name is 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID9464099
Molecular FormulaC11H4F6N4O
Molecular Weight322.17 g/mol
Exact Mass322.03
IUPAC Name5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C11H4F6N4O/c12-10(13,14)7-4-5(6-2-1-3-22-6)18-9-19-8(11(15,16)17)20-21(7)9/h1-4H
InChIKeyFBXVAKCVSNRIKH-UHFFFAOYSA-N
XLogP3.42
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
N-cyclopropyl-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46368175
[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 46368154
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone
CID 46368133
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46368172
N-(3-chloro-4-methoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46368212
5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1370067
1-ethenyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-one
CID 22929324
2-(furan-2-yl)-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823529
2-(furan-2-yl)-5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823019
3-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 40771635
[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1113767

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 9464099) is 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FBXVAKCVSNRIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F6N4O/c12-10(13,14)7-4-5(6-2-1-3-22-6)18-9-19-8(11(15,16)17)20-21(7)9/h1-4H.
What are the key properties of 5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(furan-2-yl)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 322.17 g/mol, XLogP of 3.42, 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)-2,7-bis(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 9464099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).