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

C17H24F3N5O2 — CID 91956973

IUPAC1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC(=O)N1CCCCC1
InChIInChI=1S/C17H24F3N5O2/c1-12-15-21-22-16(17(18,19)20)25(15)11-10-24(12)14(27)7-5-6-13(26)23-8-3-2-4-9-23/h12H,2-11H2,1H3
InChIKeyNIJUPFSLOVGIQU-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.38
Rot. Bonds4

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

1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione (PubChem CID 91956973) has the molecular formula C17H24F3N5O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione.

Molecular Properties

Compound Name1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione
PubChem CID91956973
Molecular FormulaC17H24F3N5O2
Molecular Weight387.41 g/mol
Exact Mass387.19
IUPAC Name1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC(=O)N1CCCCC1
InChIInChI=1S/C17H24F3N5O2/c1-12-15-21-22-16(17(18,19)20)25(15)11-10-24(12)14(27)7-5-6-13(26)23-8-3-2-4-9-23/h12H,2-11H2,1H3
InChIKeyNIJUPFSLOVGIQU-UHFFFAOYSA-N
XLogP2.38
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione?
The IUPAC name of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione (CID 91956973) is 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione.
What is the SMILES notation for 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione?
The canonical SMILES for 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCCC(=O)N1CCCCC1.
What is the InChIKey of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione?
The InChIKey is NIJUPFSLOVGIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O2/c1-12-15-21-22-16(17(18,19)20)25(15)11-10-24(12)14(27)7-5-6-13(26)23-8-3-2-4-9-23/h12H,2-11H2,1H3.
What are the key properties of 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione?
1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione has a molecular weight of 387.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-piperidin-1-ylpentane-1,5-dione is sourced from PubChem (CID 91956973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).