azanium 3-carbamoylpyrazine-2-carboxylate

C6H8N4O3 — CID 45382205

IUPACazanium 3-carbamoylpyrazine-2-carboxylate
SMILESNC(=O)c1nccnc1C(=O)[O-].[NH4+]
InChIInChI=1S/C6H5N3O3.H3N/c7-5(10)3-4(6(11)12)9-2-1-8-3;/h1-2H,(H2,7,10)(H,11,12);1H3
InChIKeySVWISZJEFWRIFG-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.68
Rot. Bonds2

About azanium 3-carbamoylpyrazine-2-carboxylate

azanium 3-carbamoylpyrazine-2-carboxylate (PubChem CID 45382205) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is azanium 3-carbamoylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameazanium 3-carbamoylpyrazine-2-carboxylate
PubChem CID45382205
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Nameazanium 3-carbamoylpyrazine-2-carboxylate
SMILESNC(=O)c1nccnc1C(=O)[O-].[NH4+]
InChIInChI=1S/C6H5N3O3.H3N/c7-5(10)3-4(6(11)12)9-2-1-8-3;/h1-2H,(H2,7,10)(H,11,12);1H3
InChIKeySVWISZJEFWRIFG-UHFFFAOYSA-N
XLogP-1.68
TPSA145.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze azanium 3-carbamoylpyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azanium 3-carbamoylpyrazine-2-carboxylate?
The IUPAC name of azanium 3-carbamoylpyrazine-2-carboxylate (CID 45382205) is azanium 3-carbamoylpyrazine-2-carboxylate.
What is the SMILES notation for azanium 3-carbamoylpyrazine-2-carboxylate?
The canonical SMILES for azanium 3-carbamoylpyrazine-2-carboxylate is NC(=O)c1nccnc1C(=O)[O-].[NH4+].
What is the InChIKey of azanium 3-carbamoylpyrazine-2-carboxylate?
The InChIKey is SVWISZJEFWRIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3.H3N/c7-5(10)3-4(6(11)12)9-2-1-8-3;/h1-2H,(H2,7,10)(H,11,12);1H3.
What are the key properties of azanium 3-carbamoylpyrazine-2-carboxylate?
azanium 3-carbamoylpyrazine-2-carboxylate has a molecular weight of 184.16 g/mol, XLogP of -1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 3-carbamoylpyrazine-2-carboxylate is sourced from PubChem (CID 45382205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).