6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H14F3N5O — CID 155792457

IUPAC6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Cc2c(C)nc3ncnn3c2N)ccc1C(F)(F)F
InChIInChI=1S/C15H14F3N5O/c1-8-10(13(19)23-14(22-8)20-7-21-23)5-9-3-4-11(15(16,17)18)12(6-9)24-2/h3-4,6-7H,5,19H2,1-2H3
InChIKeyOXKLIHIWYSTRBV-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.63
Rot. Bonds3

About 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 155792457) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID155792457
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(Cc2c(C)nc3ncnn3c2N)ccc1C(F)(F)F
InChIInChI=1S/C15H14F3N5O/c1-8-10(13(19)23-14(22-8)20-7-21-23)5-9-3-4-11(15(16,17)18)12(6-9)24-2/h3-4,6-7H,5,19H2,1-2H3
InChIKeyOXKLIHIWYSTRBV-UHFFFAOYSA-N
XLogP2.63
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 155792457) is 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is COc1cc(Cc2c(C)nc3ncnn3c2N)ccc1C(F)(F)F.
What is the InChIKey of 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OXKLIHIWYSTRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-8-10(13(19)23-14(22-8)20-7-21-23)5-9-3-4-11(15(16,17)18)12(6-9)24-2/h3-4,6-7H,5,19H2,1-2H3.
What are the key properties of 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 337.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 155792457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).