tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C12H21N3O2 — CID 103397850

IUPACtert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)17-11(16)15-7-6-13-10(8-15)14-9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyZGTPAJHFOZZCQT-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397850) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397850
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nametert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)17-11(16)15-7-6-13-10(8-15)14-9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyZGTPAJHFOZZCQT-UHFFFAOYSA-N
XLogP1.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(2,2,2-trifluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397878
tert-butyl 6-(3,3,3-trifluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398141
tert-butyl 6-(2,2-difluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398288
tert-butyl 6-(4,4,4-trifluorobutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398290
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106214986
tert-butyl 6-(2,2,3,3-tetrafluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106293719
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl N-[1-(ethynylamino)-1-methyliminopropan-2-yl]-N-propylcarbamate
CID 91277949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397850) is tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CC2)C1.
What is the InChIKey of tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is ZGTPAJHFOZZCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)17-11(16)15-7-6-13-10(8-15)14-9-4-5-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 239.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(cyclopropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).