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

C11H9F3N6O — CID 154771631

IUPACN-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1oncc1CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H9F3N6O/c1-6-7(4-18-21-6)3-15-9-2-8(11(12,13)14)19-10-16-5-17-20(9)10/h2,4-5,15H,3H2,1H3
InChIKeyXLHLNKSWXXTQMW-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.05
Rot. Bonds3

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

N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 154771631) has the molecular formula C11H9F3N6O and a molecular weight of 298.23 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID154771631
Molecular FormulaC11H9F3N6O
Molecular Weight298.23 g/mol
Exact Mass298.08
IUPAC NameN-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1oncc1CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C11H9F3N6O/c1-6-7(4-18-21-6)3-15-9-2-8(11(12,13)14)19-10-16-5-17-20(9)10/h2,4-5,15H,3H2,1H3
InChIKeyXLHLNKSWXXTQMW-UHFFFAOYSA-N
XLogP2.05
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 154771631) is N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1oncc1CNc1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XLHLNKSWXXTQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6O/c1-6-7(4-18-21-6)3-15-9-2-8(11(12,13)14)19-10-16-5-17-20(9)10/h2,4-5,15H,3H2,1H3.
What are the key properties of N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 154771631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).