3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one

C16H20F3N5O2 — CID 143301931

IUPAC3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C[C@@H](C)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C16H20F3N5O2/c1-10(7-23-8-11(2)6-14(23)26)5-13(25)22-3-4-24-12(9-22)20-21-15(24)16(17,18)19/h6,10H,3-5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyRHDCLULXTUCIHX-JTQLQIEISA-N
MW371.36 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one

3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one (PubChem CID 143301931) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one
PubChem CID143301931
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one
SMILESCC1=CC(=O)N(C[C@@H](C)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1
InChIInChI=1S/C16H20F3N5O2/c1-10(7-23-8-11(2)6-14(23)26)5-13(25)22-3-4-24-12(9-22)20-21-15(24)16(17,18)19/h6,10H,3-5,7-9H2,1-2H3/t10-/m0/s1
InChIKeyRHDCLULXTUCIHX-JTQLQIEISA-N
XLogP1.45
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one with MolForge

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Related Compounds

1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one
CID 11952626
1-[2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-methyl-2H-pyrrol-5-one
CID 73151873
1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]but-2-en-1-one
CID 78998866
N-ethyl-N-{[methyl({[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl})carbamoyl]methyl}prop-2-enamide
CID 145905428
(E)-4-(Dimethylamino)-N-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]but-2-enamide
CID 146097911
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 162588786
N-methyl-1-prop-2-enoyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidine-4-carboxamide
CID 166408737
1-[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166411126
1-[3-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]azetidin-1-yl]prop-2-en-1-one
CID 166421468
N-methyl-2-(1-prop-2-enoylazetidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 166421474
3-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]but-3-en-1-one
CID 178876310

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one?
The IUPAC name of 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one (CID 143301931) is 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one is CC1=CC(=O)N(C[C@@H](C)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C1.
What is the InChIKey of 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one?
The InChIKey is RHDCLULXTUCIHX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-10(7-23-8-11(2)6-14(23)26)5-13(25)22-3-4-24-12(9-22)20-21-15(24)16(17,18)19/h6,10H,3-5,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one?
3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one has a molecular weight of 371.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2S)-2-methyl-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-2H-pyrrol-5-one is sourced from PubChem (CID 143301931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).