ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate

C12H13N5O3 — CID 68865433

IUPACethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2cnccn2)cn1C
InChIInChI=1S/C12H13N5O3/c1-3-20-12(19)10-15-9(7-17(10)2)16-11(18)8-6-13-4-5-14-8/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyLBYHRWLTPIBHMH-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.64
Rot. Bonds4

About ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate

ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate (PubChem CID 68865433) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate
PubChem CID68865433
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Nameethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2cnccn2)cn1C
InChIInChI=1S/C12H13N5O3/c1-3-20-12(19)10-15-9(7-17(10)2)16-11(18)8-6-13-4-5-14-8/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyLBYHRWLTPIBHMH-UHFFFAOYSA-N
XLogP0.64
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate (CID 68865433) is ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate is CCOC(=O)c1nc(NC(=O)c2cnccn2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate?
The InChIKey is LBYHRWLTPIBHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-3-20-12(19)10-15-9(7-17(10)2)16-11(18)8-6-13-4-5-14-8/h4-7H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate?
ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate has a molecular weight of 275.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(pyrazine-2-carbonylamino)imidazole-2-carboxylate is sourced from PubChem (CID 68865433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).