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

C16H22F3N5O2 — CID 91956749

IUPAC1-piperidin-1-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)N1CCCCC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)15-21-20-12-11-23(9-10-24(12)15)14(26)6-4-5-13(25)22-7-2-1-3-8-22/h1-11H2
InChIKeyHUAYNGRSARGNOY-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.82
Rot. Bonds4

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

1-piperidin-1-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione (PubChem CID 91956749) has the molecular formula C16H22F3N5O2 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-piperidin-1-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-piperidin-1-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione
PubChem CID91956749
Molecular FormulaC16H22F3N5O2
Molecular Weight373.38 g/mol
Exact Mass373.17
IUPAC Name1-piperidin-1-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)N1CCCCC1
InChIInChI=1S/C16H22F3N5O2/c17-16(18,19)15-21-20-12-11-23(9-10-24(12)15)14(26)6-4-5-13(25)22-7-2-1-3-8-22/h1-11H2
InChIKeyHUAYNGRSARGNOY-UHFFFAOYSA-N
XLogP1.82
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-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-piperidin-1-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione (CID 91956749) is 1-piperidin-1-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-piperidin-1-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-piperidin-1-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)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-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 HUAYNGRSARGNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O2/c17-16(18,19)15-21-20-12-11-23(9-10-24(12)15)14(26)6-4-5-13(25)22-7-2-1-3-8-22/h1-11H2.
What are the key properties of 1-piperidin-1-yl-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentane-1,5-dione?
1-piperidin-1-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 373.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-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 91956749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).