tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate

C12H19N3O4 — CID 158116533

IUPACtert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate
SMILESCC(C)(C)OC(=O)c1cnc(N)cn1.CCOC=O
InChIInChI=1S/C9H13N3O2.C3H6O2/c1-9(2,3)14-8(13)6-4-12-7(10)5-11-6;1-2-5-3-4/h4-5H,1-3H3,(H2,10,12);3H,2H2,1H3
InChIKeyFRBQRJYLJGSANA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.19
Rot. Bonds3

About tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate

tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate (PubChem CID 158116533) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate.

Molecular Properties

Compound Nametert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate
PubChem CID158116533
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nametert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate
SMILESCC(C)(C)OC(=O)c1cnc(N)cn1.CCOC=O
InChIInChI=1S/C9H13N3O2.C3H6O2/c1-9(2,3)14-8(13)6-4-12-7(10)5-11-6;1-2-5-3-4/h4-5H,1-3H3,(H2,10,12);3H,2H2,1H3
InChIKeyFRBQRJYLJGSANA-UHFFFAOYSA-N
XLogP1.19
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate?
The IUPAC name of tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate (CID 158116533) is tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate.
What is the SMILES notation for tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate?
The canonical SMILES for tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate is CC(C)(C)OC(=O)c1cnc(N)cn1.CCOC=O.
What is the InChIKey of tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate?
The InChIKey is FRBQRJYLJGSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.C3H6O2/c1-9(2,3)14-8(13)6-4-12-7(10)5-11-6;1-2-5-3-4/h4-5H,1-3H3,(H2,10,12);3H,2H2,1H3.
What are the key properties of tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate?
tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate has a molecular weight of 269.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate is sourced from PubChem (CID 158116533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).