diazanium bis(3-aminopyrazine-2-carboxylate)

C10H16N8O4 — CID 139080956

IUPACdiazanium bis(3-aminopyrazine-2-carboxylate)
SMILESNc1nccnc1C(=O)[O-].Nc1nccnc1C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C5H5N3O2.2H3N/c2*6-4-3(5(9)10)7-1-2-8-4;;/h2*1-2H,(H2,6,8)(H,9,10);2*1H3
InChIKeyWWFDDJNTZPNSTF-UHFFFAOYSA-N
MW312.29 g/mol
LogP-2.40
Rot. Bonds2

About diazanium bis(3-aminopyrazine-2-carboxylate)

diazanium bis(3-aminopyrazine-2-carboxylate) (PubChem CID 139080956) has the molecular formula C10H16N8O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is diazanium bis(3-aminopyrazine-2-carboxylate).

Molecular Properties

Compound Namediazanium bis(3-aminopyrazine-2-carboxylate)
PubChem CID139080956
Molecular FormulaC10H16N8O4
Molecular Weight312.29 g/mol
Exact Mass312.13
IUPAC Namediazanium bis(3-aminopyrazine-2-carboxylate)
SMILESNc1nccnc1C(=O)[O-].Nc1nccnc1C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/2C5H5N3O2.2H3N/c2*6-4-3(5(9)10)7-1-2-8-4;;/h2*1-2H,(H2,6,8)(H,9,10);2*1H3
InChIKeyWWFDDJNTZPNSTF-UHFFFAOYSA-N
XLogP-2.40
TPSA256.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of diazanium bis(3-aminopyrazine-2-carboxylate)?
The IUPAC name of diazanium bis(3-aminopyrazine-2-carboxylate) (CID 139080956) is diazanium bis(3-aminopyrazine-2-carboxylate).
What is the SMILES notation for diazanium bis(3-aminopyrazine-2-carboxylate)?
The canonical SMILES for diazanium bis(3-aminopyrazine-2-carboxylate) is Nc1nccnc1C(=O)[O-].Nc1nccnc1C(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium bis(3-aminopyrazine-2-carboxylate)?
The InChIKey is WWFDDJNTZPNSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N3O2.2H3N/c2*6-4-3(5(9)10)7-1-2-8-4;;/h2*1-2H,(H2,6,8)(H,9,10);2*1H3.
What are the key properties of diazanium bis(3-aminopyrazine-2-carboxylate)?
diazanium bis(3-aminopyrazine-2-carboxylate) has a molecular weight of 312.29 g/mol, XLogP of -2.40, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium bis(3-aminopyrazine-2-carboxylate) is sourced from PubChem (CID 139080956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).