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

C11H18F3N5O — CID 64575135

IUPAC3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
SMILESCOCC(C)(CN)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-10(6-15,7-20-2)18-3-4-19-8(5-18)16-17-9(19)11(12,13)14/h3-7,15H2,1-2H3
InChIKeyNYYKXSRSVRWKHZ-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.48
Rot. Bonds4

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

3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine (PubChem CID 64575135) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
PubChem CID64575135
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
SMILESCOCC(C)(CN)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-10(6-15,7-20-2)18-3-4-19-8(5-18)16-17-9(19)11(12,13)14/h3-7,15H2,1-2H3
InChIKeyNYYKXSRSVRWKHZ-UHFFFAOYSA-N
XLogP0.48
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine (CID 64575135) is 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine is COCC(C)(CN)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
The InChIKey is NYYKXSRSVRWKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-10(6-15,7-20-2)18-3-4-19-8(5-18)16-17-9(19)11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine?
3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine has a molecular weight of 293.29 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine is sourced from PubChem (CID 64575135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).