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

C18H12F6N6O — CID 146387272

IUPAC7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C(F)(F)F)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C18H12F6N6O/c1-7-5-9(6-11(26-7)17(19,20)21)12-13(10-4-3-8(2)31-10)27-16(25)30-14(12)28-15(29-30)18(22,23)24/h3-6H,1-2H3,(H2,25,27)
InChIKeyBWFULJWCODDAFV-UHFFFAOYSA-N
MW442.32 g/mol
LogP4.68
Rot. Bonds2

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

7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387272) has the molecular formula C18H12F6N6O and a molecular weight of 442.32 g/mol. Its IUPAC name is 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146387272
Molecular FormulaC18H12F6N6O
Molecular Weight442.32 g/mol
Exact Mass442.10
IUPAC Name7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C(F)(F)F)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C18H12F6N6O/c1-7-5-9(6-11(26-7)17(19,20)21)12-13(10-4-3-8(2)31-10)27-16(25)30-14(12)28-15(29-30)18(22,23)24/h3-6H,1-2H3,(H2,25,27)
InChIKeyBWFULJWCODDAFV-UHFFFAOYSA-N
XLogP4.68
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387272) is 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C(F)(F)F)nc23)cc(C(F)(F)F)n1.
What is the InChIKey of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is BWFULJWCODDAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N6O/c1-7-5-9(6-11(26-7)17(19,20)21)12-13(10-4-3-8(2)31-10)27-16(25)30-14(12)28-15(29-30)18(22,23)24/h3-6H,1-2H3,(H2,25,27).
What are the key properties of 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 442.32 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).