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

C12H23N3O2 — CID 103397845

IUPACtert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-5-6-13-10-9-15(8-7-14-10)11(16)17-12(2,3)4/h5-9H2,1-4H3,(H,13,14)
InChIKeyQVMGZGULIBWDEL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.64
Rot. Bonds2

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

tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397845) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397845
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nametert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23N3O2/c1-5-6-13-10-9-15(8-7-14-10)11(16)17-12(2,3)4/h5-9H2,1-4H3,(H,13,14)
InChIKeyQVMGZGULIBWDEL-UHFFFAOYSA-N
XLogP1.64
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4,5-dihydro-imidazole-1-carboxylic acid t-butyl ester
CID 11735561
Tert-butyl 5-amino-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 19049020
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 5-(dimethylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165917498
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-[[1-(trifluoromethyl)cyclopropyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106214986

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397845) is tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CCCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is QVMGZGULIBWDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-6-13-10-9-15(8-7-14-10)11(16)17-12(2,3)4/h5-9H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).