1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione

C15H20F3N5O3 — CID 91956750

IUPAC1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C15H20F3N5O3/c16-15(17,18)14-20-19-11-10-22(4-5-23(11)14)13(25)3-1-2-12(24)21-6-8-26-9-7-21/h1-10H2
InChIKeyGAHMFGODCHVOOI-UHFFFAOYSA-N
MW375.35 g/mol
LogP0.67
Rot. Bonds4

About 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione

1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione (PubChem CID 91956750) has the molecular formula C15H20F3N5O3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione
PubChem CID91956750
Molecular FormulaC15H20F3N5O3
Molecular Weight375.35 g/mol
Exact Mass375.15
IUPAC Name1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)N1CCOCC1
InChIInChI=1S/C15H20F3N5O3/c16-15(17,18)14-20-19-11-10-22(4-5-23(11)14)13(25)3-1-2-12(24)21-6-8-26-9-7-21/h1-10H2
InChIKeyGAHMFGODCHVOOI-UHFFFAOYSA-N
XLogP0.67
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione?
The IUPAC name of 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione (CID 91956750) is 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione.
What is the SMILES notation for 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione?
The canonical SMILES for 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione is O=C(CCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione?
The InChIKey is GAHMFGODCHVOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O3/c16-15(17,18)14-20-19-11-10-22(4-5-23(11)14)13(25)3-1-2-12(24)21-6-8-26-9-7-21/h1-10H2.
What are the key properties of 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione?
1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione has a molecular weight of 375.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione is sourced from PubChem (CID 91956750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).