2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

C11H16F3N5O2 — CID 64575985

IUPAC2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O2/c1-21-5-2-7(15)9(20)18-3-4-19-8(6-18)16-17-10(19)11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyFBBXWBCNTRJPPG-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.00
Rot. Bonds4

About 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one

2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (PubChem CID 64575985) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
PubChem CID64575985
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O2/c1-21-5-2-7(15)9(20)18-3-4-19-8(6-18)16-17-10(19)11(12,13)14/h7H,2-6,15H2,1H3
InChIKeyFBBXWBCNTRJPPG-UHFFFAOYSA-N
XLogP0.00
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-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]pyrrolidin-2-one
CID 11952577
butyl N-[1-hydroxy-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
CID 68758230
2-amino-3,3-dimethyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 68918358
(4S)-4-amino-5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanamide
CID 69567211
(4S)-4-amino-5-oxo-5-[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanamide
CID 69572708
Ethyl 2-[5-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]acetate
CID 118136374
2-amino-1-[3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 134519766
N-[(2S)-2-amino-4-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutyl]-N-methylpentanamide
CID 147968430
(2S)-2-amino-1-[3-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 155314999
2-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexan-1-one
CID 64574828
(2S)-2-amino-4-methylsulfanyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 64574829
(2S)-2-amino-4-methyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-one
CID 64574830

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one (CID 64575985) is 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is COCCC(N)C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
The InChIKey is FBBXWBCNTRJPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-21-5-2-7(15)9(20)18-3-4-19-8(6-18)16-17-10(19)11(12,13)14/h7H,2-6,15H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one?
2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one has a molecular weight of 307.28 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one is sourced from PubChem (CID 64575985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).