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

C12H22N4O3 — CID 103397931

IUPACtert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(N)=O
InChIInChI=1S/C12H22N4O3/c1-8(10(13)17)15-9-7-16(6-5-14-9)11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,17)(H,14,15)
InChIKeyNCQLGODXOUELND-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.10
Rot. Bonds2

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

tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397931) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397931
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nametert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(N)=O
InChIInChI=1S/C12H22N4O3/c1-8(10(13)17)15-9-7-16(6-5-14-9)11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,17)(H,14,15)
InChIKeyNCQLGODXOUELND-UHFFFAOYSA-N
XLogP0.10
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397931) is tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C(N)=O.
What is the InChIKey of tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is NCQLGODXOUELND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(10(13)17)15-9-7-16(6-5-14-9)11(18)19-12(2,3)4/h8H,5-7H2,1-4H3,(H2,13,17)(H,14,15).
What are the key properties of tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-amino-1-oxopropan-2-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).