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

C15H17F3N6O — CID 133347664

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCc2c(C)noc2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H17F3N6O/c1-8-7-12(19-6-4-5-11-9(2)23-25-10(11)3)24-14(20-8)21-13(22-24)15(16,17)18/h7,19H,4-6H2,1-3H3
InChIKeyDJOZOEACUQDDPJ-UHFFFAOYSA-N
MW354.34 g/mol
LogP3.10
Rot. Bonds5

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

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133347664) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133347664
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCCc2c(C)noc2C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H17F3N6O/c1-8-7-12(19-6-4-5-11-9(2)23-25-10(11)3)24-14(20-8)21-13(22-24)15(16,17)18/h7,19H,4-6H2,1-3H3
InChIKeyDJOZOEACUQDDPJ-UHFFFAOYSA-N
XLogP3.10
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133347664) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCCc2c(C)noc2C)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DJOZOEACUQDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-8-7-12(19-6-4-5-11-9(2)23-25-10(11)3)24-14(20-8)21-13(22-24)15(16,17)18/h7,19H,4-6H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-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 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133347664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).