1-pyrazin-2-ylimidazole-4-carboxylate

C8H5N4O2- — CID 23171318

IUPAC1-pyrazin-2-ylimidazole-4-carboxylate
SMILESO=C([O-])c1cn(-c2cnccn2)cn1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-4-12(5-11-6)7-3-9-1-2-10-7/h1-5H,(H,13,14)/p-1
InChIKeyDRSIJWOLJLFVOR-UHFFFAOYSA-M
MW189.15 g/mol
LogP-0.97
Rot. Bonds2

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

1-pyrazin-2-ylimidazole-4-carboxylate (PubChem CID 23171318) has the molecular formula C8H5N4O2- and a molecular weight of 189.15 g/mol. Its IUPAC name is 1-pyrazin-2-ylimidazole-4-carboxylate.

Molecular Properties

Compound Name1-pyrazin-2-ylimidazole-4-carboxylate
PubChem CID23171318
Molecular FormulaC8H5N4O2-
Molecular Weight189.15 g/mol
Exact Mass189.04
IUPAC Name1-pyrazin-2-ylimidazole-4-carboxylate
SMILESO=C([O-])c1cn(-c2cnccn2)cn1
InChIInChI=1S/C8H6N4O2/c13-8(14)6-4-12(5-11-6)7-3-9-1-2-10-7/h1-5H,(H,13,14)/p-1
InChIKeyDRSIJWOLJLFVOR-UHFFFAOYSA-M
XLogP-0.97
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylimidazole-4-carboxylate?
The IUPAC name of 1-pyrazin-2-ylimidazole-4-carboxylate (CID 23171318) is 1-pyrazin-2-ylimidazole-4-carboxylate.
What is the SMILES notation for 1-pyrazin-2-ylimidazole-4-carboxylate?
The canonical SMILES for 1-pyrazin-2-ylimidazole-4-carboxylate is O=C([O-])c1cn(-c2cnccn2)cn1.
What is the InChIKey of 1-pyrazin-2-ylimidazole-4-carboxylate?
The InChIKey is DRSIJWOLJLFVOR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6N4O2/c13-8(14)6-4-12(5-11-6)7-3-9-1-2-10-7/h1-5H,(H,13,14)/p-1.
What are the key properties of 1-pyrazin-2-ylimidazole-4-carboxylate?
1-pyrazin-2-ylimidazole-4-carboxylate has a molecular weight of 189.15 g/mol, XLogP of -0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylimidazole-4-carboxylate is sourced from PubChem (CID 23171318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).