5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C15H14F3N5O — CID 90643314

IUPAC5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)Oc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
InChIInChI=1S/C15H14F3N5O/c1-8(2)24-10-5-3-9(4-6-10)11-7-12(15(16,17)18)23-14(20-11)21-13(19)22-23/h3-8H,1-2H3,(H2,19,22)
InChIKeyLQGSKUHDCZPEON-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.18
Rot. Bonds3

About 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 90643314) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID90643314
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)Oc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
InChIInChI=1S/C15H14F3N5O/c1-8(2)24-10-5-3-9(4-6-10)11-7-12(15(16,17)18)23-14(20-11)21-13(19)22-23/h3-8H,1-2H3,(H2,19,22)
InChIKeyLQGSKUHDCZPEON-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 90643314) is 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1.
What is the InChIKey of 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LQGSKUHDCZPEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-8(2)24-10-5-3-9(4-6-10)11-7-12(15(16,17)18)23-14(20-11)21-13(19)22-23/h3-8H,1-2H3,(H2,19,22).
What are the key properties of 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 337.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yloxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 90643314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).