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

C17H13F3N6O — CID 150754482

IUPAC6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C(F)(F)F)c(-c2ccco2)n1
InChIInChI=1S/C17H13F3N6O/c1-9-11(15(21)26-16(24-9)22-8-23-26)7-10-4-5-12(17(18,19)20)14(25-10)13-3-2-6-27-13/h2-6,8H,7,21H2,1H3
InChIKeyJWOHGCHOGAIJCS-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.28
Rot. Bonds3

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

6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 150754482) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID150754482
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N)c1Cc1ccc(C(F)(F)F)c(-c2ccco2)n1
InChIInChI=1S/C17H13F3N6O/c1-9-11(15(21)26-16(24-9)22-8-23-26)7-10-4-5-12(17(18,19)20)14(25-10)13-3-2-6-27-13/h2-6,8H,7,21H2,1H3
InChIKeyJWOHGCHOGAIJCS-UHFFFAOYSA-N
XLogP3.28
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 150754482) is 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N)c1Cc1ccc(C(F)(F)F)c(-c2ccco2)n1.
What is the InChIKey of 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JWOHGCHOGAIJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O/c1-9-11(15(21)26-16(24-9)22-8-23-26)7-10-4-5-12(17(18,19)20)14(25-10)13-3-2-6-27-13/h2-6,8H,7,21H2,1H3.
What are the key properties of 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(furan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 150754482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).