3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole

C12H14F3N5O — CID 165431475

IUPAC3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3N5O/c1-7-9(8(2)21-18-7)5-19-3-4-20-10(6-19)16-17-11(20)12(13,14)15/h3-6H2,1-2H3
InChIKeyJMPZAMULZCKCCW-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.92
Rot. Bonds2

About 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole (PubChem CID 165431475) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole
PubChem CID165431475
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C12H14F3N5O/c1-7-9(8(2)21-18-7)5-19-3-4-20-10(6-19)16-17-11(20)12(13,14)15/h3-6H2,1-2H3
InChIKeyJMPZAMULZCKCCW-UHFFFAOYSA-N
XLogP1.92
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole (CID 165431475) is 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole?
The InChIKey is JMPZAMULZCKCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-7-9(8(2)21-18-7)5-19-3-4-20-10(6-19)16-17-11(20)12(13,14)15/h3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole has a molecular weight of 301.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 165431475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).