3-aminopyrazine-2-carboxylate

C5H4N3O2- — CID 6973597

IUPAC3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)[O-]
InChIInChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)/p-1
InChIKeyZAGZIOYVEIDDJA-UHFFFAOYSA-M
MW138.11 g/mol
LogP-1.58
Rot. Bonds1

About 3-aminopyrazine-2-carboxylate

3-aminopyrazine-2-carboxylate (PubChem CID 6973597) has the molecular formula C5H4N3O2- and a molecular weight of 138.11 g/mol. Its IUPAC name is 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name3-aminopyrazine-2-carboxylate
PubChem CID6973597
Molecular FormulaC5H4N3O2-
Molecular Weight138.11 g/mol
Exact Mass138.03
IUPAC Name3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)[O-]
InChIInChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)/p-1
InChIKeyZAGZIOYVEIDDJA-UHFFFAOYSA-M
XLogP-1.58
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyrazine-2-carboxylate?
The IUPAC name of 3-aminopyrazine-2-carboxylate (CID 6973597) is 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for 3-aminopyrazine-2-carboxylate?
The canonical SMILES for 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)[O-].
What is the InChIKey of 3-aminopyrazine-2-carboxylate?
The InChIKey is ZAGZIOYVEIDDJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)/p-1.
What are the key properties of 3-aminopyrazine-2-carboxylate?
3-aminopyrazine-2-carboxylate has a molecular weight of 138.11 g/mol, XLogP of -1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 6973597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).