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

C18H15F3N6O2 — CID 146387144

IUPAC[5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N6O2/c1-8-5-10(6-12(23-8)18(19,20)21)14-15(11-4-3-9(2)29-11)25-17(22)27-16(14)24-13(7-28)26-27/h3-6,28H,7H2,1-2H3,(H2,22,25)
InChIKeyUSEZSWHDIQIMBS-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.16
Rot. Bonds3

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

[5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol (PubChem CID 146387144) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 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]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
PubChem CID146387144
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name[5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
SMILESCc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO)nc23)cc(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N6O2/c1-8-5-10(6-12(23-8)18(19,20)21)14-15(11-4-3-9(2)29-11)25-17(22)27-16(14)24-13(7-28)26-27/h3-6,28H,7H2,1-2H3,(H2,22,25)
InChIKeyUSEZSWHDIQIMBS-UHFFFAOYSA-N
XLogP3.16
TPSA115.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol with MolForge

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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]pyrimidin-2-yl]methanol?
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]pyrimidin-2-yl]methanol (CID 146387144) is [5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol.
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]pyrimidin-2-yl]methanol?
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]pyrimidin-2-yl]methanol is Cc1cc(-c2c(-c3ccc(C)o3)nc(N)n3nc(CO)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]pyrimidin-2-yl]methanol?
The InChIKey is USEZSWHDIQIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c1-8-5-10(6-12(23-8)18(19,20)21)14-15(11-4-3-9(2)29-11)25-17(22)27-16(14)24-13(7-28)26-27/h3-6,28H,7H2,1-2H3,(H2,22,25).
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]pyrimidin-2-yl]methanol?
[5-amino-7-(5-methylfuran-2-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol has a molecular weight of 404.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 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]pyrimidin-2-yl]methanol is sourced from PubChem (CID 146387144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).