tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate

C13H19N3O2 — CID 57475684

IUPACtert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate
SMILESCN(C)/C=C/c1cnc(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)11-9-14-10(8-15-11)6-7-16(4)5/h6-9H,1-5H3/b7-6+
InChIKeyVJQNYNXTXXJHAY-VOTSOKGWSA-N
MW249.31 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate

tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate (PubChem CID 57475684) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate
PubChem CID57475684
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nametert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate
SMILESCN(C)/C=C/c1cnc(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)11-9-14-10(8-15-11)6-7-16(4)5/h6-9H,1-5H3/b7-6+
InChIKeyVJQNYNXTXXJHAY-VOTSOKGWSA-N
XLogP1.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-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-(1-fluoroethyl)pyrazine-2-carboxylate
CID 118983845
tert-butyl 5-(1-formyloxyethyl)pyrazine-2-carboxylate
CID 174602434
tert-butyl 5-aminopyrazine-2-carboxylate;ethyl formate
CID 158116533
tert-butyl 5-bromo-4-methylpyridine-2-carboxylate
CID 131612137
tert-butyl 5-propan-2-ylpyridine-2-carboxylate
CID 133061148
tert-butyl 5-prop-1-en-2-ylpyridine-2-carboxylate
CID 156787267
5-[(E)-prop-1-enyl]pyrazine-2-carboxylic acid
CID 57085251
tert-butyl 1H-pyrazole-4-carboxylate;methane
CID 166118225
tert-butyl 2-(dimethylaminomethylideneamino)-1,3-thiazole-5-carboxylate
CID 3738801
tert-butyl 4-(fluoromethyl)-5-oxopyrazine-2-carboxylate
CID 118798867
tert-butyl 6-bromoisoquinoline-3-carboxylate
CID 133059720
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate (CID 57475684) is tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate is CN(C)/C=C/c1cnc(C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate?
The InChIKey is VJQNYNXTXXJHAY-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)18-12(17)11-9-14-10(8-15-11)6-7-16(4)5/h6-9H,1-5H3/b7-6+.
What are the key properties of tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate?
tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(E)-2-(dimethylamino)ethenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 57475684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).