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

C15H22F3N5O4 — CID 68758230

IUPACbutyl 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
SMILESCCCCOC(=O)NC(CO)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C15H22F3N5O4/c1-2-3-6-27-14(26)19-10(9-24)7-12(25)22-4-5-23-11(8-22)20-21-13(23)15(16,17)18/h10,24H,2-9H2,1H3,(H,19,26)
InChIKeyCOSUIYKSNXRQBO-UHFFFAOYSA-N
MW393.37 g/mol
LogP0.92
Rot. Bonds7

About 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

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 (PubChem CID 68758230) has the molecular formula C15H22F3N5O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebutyl 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
PubChem CID68758230
Molecular FormulaC15H22F3N5O4
Molecular Weight393.37 g/mol
Exact Mass393.16
IUPAC Namebutyl 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
SMILESCCCCOC(=O)NC(CO)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C15H22F3N5O4/c1-2-3-6-27-14(26)19-10(9-24)7-12(25)22-4-5-23-11(8-22)20-21-13(23)15(16,17)18/h10,24H,2-9H2,1H3,(H,19,26)
InChIKeyCOSUIYKSNXRQBO-UHFFFAOYSA-N
XLogP0.92
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCOC(=O)NC(CO)CC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 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?
The InChIKey is COSUIYKSNXRQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O4/c1-2-3-6-27-14(26)19-10(9-24)7-12(25)22-4-5-23-11(8-22)20-21-13(23)15(16,17)18/h10,24H,2-9H2,1H3,(H,19,26).
What are the key properties of 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?
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 has a molecular weight of 393.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68758230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).