7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C16H11F3N6O — CID 146387297

IUPAC7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccco3)nc(N)n3ncnc23)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F3N6O/c1-8-5-9(6-11(23-8)16(17,18)19)12-13(10-3-2-4-26-10)24-15(20)25-14(12)21-7-22-25/h2-7H,1H3,(H2,20,24)
InChIKeyRFBOXLUNVRVIML-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.36
Rot. Bonds2

About 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387297) has the molecular formula C16H11F3N6O and a molecular weight of 360.30 g/mol. Its IUPAC name is 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146387297
Molecular FormulaC16H11F3N6O
Molecular Weight360.30 g/mol
Exact Mass360.09
IUPAC Name7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccco3)nc(N)n3ncnc23)cc(C(F)(F)F)n1
InChIInChI=1S/C16H11F3N6O/c1-8-5-9(6-11(23-8)16(17,18)19)12-13(10-3-2-4-26-10)24-15(20)25-14(12)21-7-22-25/h2-7H,1H3,(H2,20,24)
InChIKeyRFBOXLUNVRVIML-UHFFFAOYSA-N
XLogP3.36
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387297) is 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccco3)nc(N)n3ncnc23)cc(C(F)(F)F)n1.
What is the InChIKey of 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is RFBOXLUNVRVIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O/c1-8-5-9(6-11(23-8)16(17,18)19)12-13(10-3-2-4-26-10)24-15(20)25-14(12)21-7-22-25/h2-7H,1H3,(H2,20,24).
What are the key properties of 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 360.30 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).