ethyl 1-pyrazin-2-ylimidazole-4-carboxylate

C10H10N4O2 — CID 15069646

IUPACethyl 1-pyrazin-2-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnccn2)cn1
InChIInChI=1S/C10H10N4O2/c1-2-16-10(15)8-6-14(7-13-8)9-5-11-3-4-12-9/h3-7H,2H2,1H3
InChIKeyPMRVQSRROLLJCP-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.84
Rot. Bonds3

About ethyl 1-pyrazin-2-ylimidazole-4-carboxylate

ethyl 1-pyrazin-2-ylimidazole-4-carboxylate (PubChem CID 15069646) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is ethyl 1-pyrazin-2-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyrazin-2-ylimidazole-4-carboxylate
PubChem CID15069646
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Nameethyl 1-pyrazin-2-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cnccn2)cn1
InChIInChI=1S/C10H10N4O2/c1-2-16-10(15)8-6-14(7-13-8)9-5-11-3-4-12-9/h3-7H,2H2,1H3
InChIKeyPMRVQSRROLLJCP-UHFFFAOYSA-N
XLogP0.84
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyrazin-2-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-pyrazin-2-ylimidazole-4-carboxylate (CID 15069646) is ethyl 1-pyrazin-2-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-pyrazin-2-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-pyrazin-2-ylimidazole-4-carboxylate is CCOC(=O)c1cn(-c2cnccn2)cn1.
What is the InChIKey of ethyl 1-pyrazin-2-ylimidazole-4-carboxylate?
The InChIKey is PMRVQSRROLLJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-2-16-10(15)8-6-14(7-13-8)9-5-11-3-4-12-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 1-pyrazin-2-ylimidazole-4-carboxylate?
ethyl 1-pyrazin-2-ylimidazole-4-carboxylate has a molecular weight of 218.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyrazin-2-ylimidazole-4-carboxylate is sourced from PubChem (CID 15069646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).