amino pyrazine-2-carboxylate

C5H5N3O2 — CID 67878279

IUPACamino pyrazine-2-carboxylate
SMILESNOC(=O)c1cnccn1
InChIInChI=1S/C5H5N3O2/c6-10-5(9)4-3-7-1-2-8-4/h1-3H,6H2
InChIKeyNJGYUCGQWGCHSI-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.49
Rot. Bonds1

About amino pyrazine-2-carboxylate

amino pyrazine-2-carboxylate (PubChem CID 67878279) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is amino pyrazine-2-carboxylate.

Molecular Properties

Compound Nameamino pyrazine-2-carboxylate
PubChem CID67878279
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Nameamino pyrazine-2-carboxylate
SMILESNOC(=O)c1cnccn1
InChIInChI=1S/C5H5N3O2/c6-10-5(9)4-3-7-1-2-8-4/h1-3H,6H2
InChIKeyNJGYUCGQWGCHSI-UHFFFAOYSA-N
XLogP-0.49
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

silyl pyrazine-2-carboxylate
CID 137330489
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
trifluoromethyl pyrazine-2-carboxylate
CID 142296960
propan-2-yl pyrazine-2-carboxylate
CID 3022328
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
N-deuteriopyrazine-2-carboxamide
CID 175943999
oxetan-3-yl pyrazine-2-carboxylate
CID 130693172
[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate
CID 91727571
(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
CID 17428240
[4-[4-(pyrazine-2-carbonyloxy)phenyl]sulfanylphenyl] pyrazine-2-carboxylate
CID 18077188

Frequently Asked Questions

What is the IUPAC name of amino pyrazine-2-carboxylate?
The IUPAC name of amino pyrazine-2-carboxylate (CID 67878279) is amino pyrazine-2-carboxylate.
What is the SMILES notation for amino pyrazine-2-carboxylate?
The canonical SMILES for amino pyrazine-2-carboxylate is NOC(=O)c1cnccn1.
What is the InChIKey of amino pyrazine-2-carboxylate?
The InChIKey is NJGYUCGQWGCHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-10-5(9)4-3-7-1-2-8-4/h1-3H,6H2.
What are the key properties of amino pyrazine-2-carboxylate?
amino pyrazine-2-carboxylate has a molecular weight of 139.11 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino pyrazine-2-carboxylate is sourced from PubChem (CID 67878279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).