1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one

C15H27N3O2 — CID 62928104

IUPAC1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one
SMILESCC(C)CCOCCNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H27N3O2/c1-12(2)6-10-20-11-8-17-13-14(19)18(9-7-16-13)15(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3,(H,16,17)
InChIKeySZUKRCJAZPXFEY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.47
Rot. Bonds7

About 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one

1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one (PubChem CID 62928104) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one
PubChem CID62928104
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one
SMILESCC(C)CCOCCNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H27N3O2/c1-12(2)6-10-20-11-8-17-13-14(19)18(9-7-16-13)15(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3,(H,16,17)
InChIKeySZUKRCJAZPXFEY-UHFFFAOYSA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one
CID 62927925
3-[3-(2-aminoethoxy)propylamino]-1-tert-butylpyrazin-2-one
CID 106308349
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
1-tert-butyl-3-(4-methoxybutan-2-ylamino)pyrazin-2-one
CID 64604064
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
1-tert-butyl-3-[(2-chloro-3-methoxypropyl)amino]pyrazin-2-one
CID 65027121
1-tert-butyl-3-[(1-hydroxy-4-methylpentan-2-yl)amino]pyrazin-2-one
CID 62940206
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
CID 114943089

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one (CID 62928104) is 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one is CC(C)CCOCCNc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one?
The InChIKey is SZUKRCJAZPXFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)6-10-20-11-8-17-13-14(19)18(9-7-16-13)15(3,4)5/h7,9,12H,6,8,10-11H2,1-5H3,(H,16,17).
What are the key properties of 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one?
1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one has a molecular weight of 281.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[2-(3-methylbutoxy)ethylamino]pyrazin-2-one is sourced from PubChem (CID 62928104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).