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

C14H16F3N5O3 — CID 91956997

IUPAC1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C14H16F3N5O3/c1-8-12-18-19-13(14(15,16)17)22(12)7-6-20(8)11(25)4-5-21-9(23)2-3-10(21)24/h8H,2-7H2,1H3
InChIKeyHGPMJLLPZOBKIS-UHFFFAOYSA-N
MW359.31 g/mol
LogP0.74
Rot. Bonds3

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

1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 91956997) has the molecular formula C14H16F3N5O3 and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID91956997
Molecular FormulaC14H16F3N5O3
Molecular Weight359.31 g/mol
Exact Mass359.12
IUPAC Name1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C14H16F3N5O3/c1-8-12-18-19-13(14(15,16)17)22(12)7-6-20(8)11(25)4-5-21-9(23)2-3-10(21)24/h8H,2-7H2,1H3
InChIKeyHGPMJLLPZOBKIS-UHFFFAOYSA-N
XLogP0.74
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione (CID 91956997) is 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione is CC1c2nnc(C(F)(F)F)n2CCN1C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is HGPMJLLPZOBKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3/c1-8-12-18-19-13(14(15,16)17)22(12)7-6-20(8)11(25)4-5-21-9(23)2-3-10(21)24/h8H,2-7H2,1H3.
What are the key properties of 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 359.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 91956997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).