tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate

C15H15F3N4O2 — CID 175983977

IUPACtert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(-c2ncccc2C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N4O2/c1-14(2,3)24-13(23)22-11-8-20-10(7-21-11)12-9(15(16,17)18)5-4-6-19-12/h4-8H,1-3H3,(H,21,22,23)
InChIKeyIRLYHDHMTUGOOZ-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.90
Rot. Bonds2

About tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate

tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate (PubChem CID 175983977) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate
PubChem CID175983977
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Nametert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(-c2ncccc2C(F)(F)F)cn1
InChIInChI=1S/C15H15F3N4O2/c1-14(2,3)24-13(23)22-11-8-20-10(7-21-11)12-9(15(16,17)18)5-4-6-19-12/h4-8H,1-3H3,(H,21,22,23)
InChIKeyIRLYHDHMTUGOOZ-UHFFFAOYSA-N
XLogP3.90
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576
3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]triazole-4-carboxylic acid
CID 162377490
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
(2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 125457933
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
CID 171682686
4-methyl-N-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-pyridinyl]methyl]-3-(trifluoromethyl)benzeneamine oxide
CID 170108741
tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate
CID 141133546
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)benzoic acid
CID 15033884

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate (CID 175983977) is tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc(-c2ncccc2C(F)(F)F)cn1.
What is the InChIKey of tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate?
The InChIKey is IRLYHDHMTUGOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-14(2,3)24-13(23)22-11-8-20-10(7-21-11)12-9(15(16,17)18)5-4-6-19-12/h4-8H,1-3H3,(H,21,22,23).
What are the key properties of tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate?
tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate has a molecular weight of 340.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate is sourced from PubChem (CID 175983977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).