imidazol-3-ide;pyrazine-2-carboxylic acid

C8H7N4O2- — CID 86739965

IUPACimidazol-3-ide;pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnccn1.c1c[n-]cn1
InChIInChI=1S/C5H4N2O2.C3H3N2/c8-5(9)4-3-6-1-2-7-4;1-2-5-3-4-1/h1-3H,(H,8,9);1-3H/q;-1
InChIKeyAMMNSXSKSGIJCP-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.21
Rot. Bonds1

About imidazol-3-ide;pyrazine-2-carboxylic acid

imidazol-3-ide;pyrazine-2-carboxylic acid (PubChem CID 86739965) has the molecular formula C8H7N4O2- and a molecular weight of 191.17 g/mol. Its IUPAC name is imidazol-3-ide;pyrazine-2-carboxylic acid.

Molecular Properties

Compound Nameimidazol-3-ide;pyrazine-2-carboxylic acid
PubChem CID86739965
Molecular FormulaC8H7N4O2-
Molecular Weight191.17 g/mol
Exact Mass191.06
IUPAC Nameimidazol-3-ide;pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnccn1.c1c[n-]cn1
InChIInChI=1S/C5H4N2O2.C3H3N2/c8-5(9)4-3-6-1-2-7-4;1-2-5-3-4-1/h1-3H,(H,8,9);1-3H/q;-1
InChIKeyAMMNSXSKSGIJCP-UHFFFAOYSA-N
XLogP0.21
TPSA90.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174693780
pyrazine-2-carbothioic S-acid
CID 87249006
N-deuteriopyrazine-2-carboxamide
CID 175943999
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piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
CID 159112921
(3-oxo-3-pyrazin-2-ylprop-1-enylidene)azanide
CID 140612761
amino(diaminomethylidene)azanium;pyrazine-2-carboxylate
CID 155803285
trifluoromethyl pyrazine-2-carboxylate
CID 142296960
amino pyrazine-2-carboxylate
CID 67878279
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058

Frequently Asked Questions

What is the IUPAC name of imidazol-3-ide;pyrazine-2-carboxylic acid?
The IUPAC name of imidazol-3-ide;pyrazine-2-carboxylic acid (CID 86739965) is imidazol-3-ide;pyrazine-2-carboxylic acid.
What is the SMILES notation for imidazol-3-ide;pyrazine-2-carboxylic acid?
The canonical SMILES for imidazol-3-ide;pyrazine-2-carboxylic acid is O=C(O)c1cnccn1.c1c[n-]cn1.
What is the InChIKey of imidazol-3-ide;pyrazine-2-carboxylic acid?
The InChIKey is AMMNSXSKSGIJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.C3H3N2/c8-5(9)4-3-6-1-2-7-4;1-2-5-3-4-1/h1-3H,(H,8,9);1-3H/q;-1.
What are the key properties of imidazol-3-ide;pyrazine-2-carboxylic acid?
imidazol-3-ide;pyrazine-2-carboxylic acid has a molecular weight of 191.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-3-ide;pyrazine-2-carboxylic acid is sourced from PubChem (CID 86739965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).