tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate

C16H20FN5O2 — CID 67336074

IUPACtert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2n(n1)C(c1ccc(F)cc1)CNC2
InChIInChI=1S/C16H20FN5O2/c1-16(2,3)24-15(23)20-14-19-13-9-18-8-12(22(13)21-14)10-4-6-11(17)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,20,21,23)
InChIKeyWNPQQBIHAMRLOT-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.46
Rot. Bonds2

About tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate

tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate (PubChem CID 67336074) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate
PubChem CID67336074
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC Nametert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2n(n1)C(c1ccc(F)cc1)CNC2
InChIInChI=1S/C16H20FN5O2/c1-16(2,3)24-15(23)20-14-19-13-9-18-8-12(22(13)21-14)10-4-6-11(17)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,20,21,23)
InChIKeyWNPQQBIHAMRLOT-UHFFFAOYSA-N
XLogP2.46
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate (CID 67336074) is tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc2n(n1)C(c1ccc(F)cc1)CNC2.
What is the InChIKey of tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate?
The InChIKey is WNPQQBIHAMRLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-16(2,3)24-15(23)20-14-19-13-9-18-8-12(22(13)21-14)10-4-6-11(17)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,20,21,23).
What are the key properties of tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate?
tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate has a molecular weight of 333.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]carbamate is sourced from PubChem (CID 67336074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).