tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C13H20F3N3O2 — CID 106214986

IUPACtert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H20F3N3O2/c1-11(2,3)21-10(20)19-7-6-17-9(8-19)18-12(4-5-12)13(14,15)16/h4-8H2,1-3H3,(H,17,18)
InChIKeyFYYDDKPSKZNFIT-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.32
Rot. Bonds1

About tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 106214986) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID106214986
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Nametert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H20F3N3O2/c1-11(2,3)21-10(20)19-7-6-17-9(8-19)18-12(4-5-12)13(14,15)16/h4-8H2,1-3H3,(H,17,18)
InChIKeyFYYDDKPSKZNFIT-UHFFFAOYSA-N
XLogP2.32
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 5-amino-3,3,6-trimethyl-4-(2,2,2-trifluoroethanimidoyl)-2,6-dihydropyrazin-4-ium-1-carboxylate
CID 144563756
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-(5,5,5-trifluoropentylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398291
tert-butyl 6-(4,4,4-trifluorobutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105940375
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 N-[(2R)-3-[[N-methyl-C-(trifluoromethyl)carbonimidoyl]amino]butan-2-yl]carbamate
CID 162594737
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 106214986) is tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2(C(F)(F)F)CC2)C1.
What is the InChIKey of tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is FYYDDKPSKZNFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-11(2,3)21-10(20)19-7-6-17-9(8-19)18-12(4-5-12)13(14,15)16/h4-8H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 307.32 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 106214986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).