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

C15H14F3N5O2 — CID 53390055

IUPAC2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2c(C)nc3nc(N)[nH]n3c2=O)cc1C(F)(F)F
InChIInChI=1S/C15H14F3N5O2/c1-7-9(12(24)23-14(20-7)21-13(19)22-23)5-8-3-4-11(25-2)10(6-8)15(16,17)18/h3-4,6H,5H2,1-2H3,(H3,19,20,21,22)
InChIKeyRHNNAXPAWZKOOT-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.93
Rot. Bonds3

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

2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 53390055) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID53390055
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2c(C)nc3nc(N)[nH]n3c2=O)cc1C(F)(F)F
InChIInChI=1S/C15H14F3N5O2/c1-7-9(12(24)23-14(20-7)21-13(19)22-23)5-8-3-4-11(25-2)10(6-8)15(16,17)18/h3-4,6H,5H2,1-2H3,(H3,19,20,21,22)
InChIKeyRHNNAXPAWZKOOT-UHFFFAOYSA-N
XLogP1.93
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 53390055) is 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccc(Cc2c(C)nc3nc(N)[nH]n3c2=O)cc1C(F)(F)F.
What is the InChIKey of 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RHNNAXPAWZKOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-7-9(12(24)23-14(20-7)21-13(19)22-23)5-8-3-4-11(25-2)10(6-8)15(16,17)18/h3-4,6H,5H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 353.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 53390055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).