N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17F3N6O — CID 133342140

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ncc(C(C)(C)C)o2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H17F3N6O/c1-8-5-10(19-7-11-20-6-9(25-11)14(2,3)4)24-13(21-8)22-12(23-24)15(16,17)18/h5-6,19H,7H2,1-4H3
InChIKeyNGBVCYCRTDIDRT-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.35
Rot. Bonds3

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133342140) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133342140
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ncc(C(C)(C)C)o2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H17F3N6O/c1-8-5-10(19-7-11-20-6-9(25-11)14(2,3)4)24-13(21-8)22-12(23-24)15(16,17)18/h5-6,19H,7H2,1-4H3
InChIKeyNGBVCYCRTDIDRT-UHFFFAOYSA-N
XLogP3.35
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133342140) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ncc(C(C)(C)C)o2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NGBVCYCRTDIDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-8-5-10(19-7-11-20-6-9(25-11)14(2,3)4)24-13(21-8)22-12(23-24)15(16,17)18/h5-6,19H,7H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 354.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133342140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).