ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate

C12H14N4O2 — CID 114203722

IUPACethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cnc(C)cn2)cn1
InChIInChI=1S/C12H14N4O2/c1-3-18-12(17)11-7-16(8-15-11)6-10-5-13-9(2)4-14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyACOZRSFEOZVLIX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.21
Rot. Bonds4

About ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate

ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate (PubChem CID 114203722) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate
PubChem CID114203722
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Nameethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cnc(C)cn2)cn1
InChIInChI=1S/C12H14N4O2/c1-3-18-12(17)11-7-16(8-15-11)6-10-5-13-9(2)4-14-10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyACOZRSFEOZVLIX-UHFFFAOYSA-N
XLogP1.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(3-methyl-4-pyridinyl)methyl]imidazole-4-carboxylate
CID 114203788
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazole-4-carboxylate
CID 114203747
ethyl 1-[(6-chloroimidazo[1,2-b]pyridazin-2-yl)methyl]imidazole-4-carboxylate
CID 139488298
ethyl 1-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]imidazole-4-carboxylate
CID 146392266
ethyl 1-[(2R)-butan-2-yl]imidazole-4-carboxylate
CID 166520574
ethyl 1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazole-4-carboxylate
CID 114203731
ethyl 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(4-ethoxycarbonylimidazol-1-yl)methyl]pyridine-2-carboxylate
CID 156826242
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]imidazole-4-carboxylate
CID 156825895
ethyl 1-[3-(cyclohexylamino)propyl]imidazole-4-carboxylate
CID 12025017
methyl 5-[(4-formylimidazol-1-yl)methyl]pyrazine-2-carboxylate
CID 165449197
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate (CID 114203722) is ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate is CCOC(=O)c1cn(Cc2cnc(C)cn2)cn1.
What is the InChIKey of ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate?
The InChIKey is ACOZRSFEOZVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-12(17)11-7-16(8-15-11)6-10-5-13-9(2)4-14-10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate?
ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-methylpyrazin-2-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 114203722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).