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

C18H12F3N7O — CID 146387146

IUPAC5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C#N)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C18H12F3N7O/c1-8-5-10(6-12(24-8)18(19,20)21)14-15(11-4-3-9(2)29-11)26-17(23)28-16(14)25-13(7-22)27-28/h3-6H,1-2H3,(H2,23,26)
InChIKeyFFEHUMLIWDTYJB-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.54
Rot. Bonds2

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

5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile (PubChem CID 146387146) has the molecular formula C18H12F3N7O and a molecular weight of 399.34 g/mol. Its IUPAC name is 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile
PubChem CID146387146
Molecular FormulaC18H12F3N7O
Molecular Weight399.34 g/mol
Exact Mass399.11
IUPAC Name5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C#N)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C18H12F3N7O/c1-8-5-10(6-12(24-8)18(19,20)21)14-15(11-4-3-9(2)29-11)26-17(23)28-16(14)25-13(7-22)27-28/h3-6H,1-2H3,(H2,23,26)
InChIKeyFFEHUMLIWDTYJB-UHFFFAOYSA-N
XLogP3.54
TPSA118.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile?
The IUPAC name of 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile (CID 146387146) is 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile is Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(C#N)nc23)cc(C(F)(F)F)n1.
What is the InChIKey of 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile?
The InChIKey is FFEHUMLIWDTYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N7O/c1-8-5-10(6-12(24-8)18(19,20)21)14-15(11-4-3-9(2)29-11)26-17(23)28-16(14)25-13(7-22)27-28/h3-6H,1-2H3,(H2,23,26).
What are the key properties of 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile?
5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile has a molecular weight of 399.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carbonitrile is sourced from PubChem (CID 146387146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).