sodium;1H-imidazole;acetate

C5H7N2NaO2 — CID 68723506

IUPACsodium;1H-imidazole;acetate
SMILESCC(=O)[O-].[Na+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.C2H4O2.Na/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H,3,4);/q;;+1/p-1
InChIKeyGQCLVGRUNQHONC-UHFFFAOYSA-M
MW150.11 g/mol
LogP-3.83
Rot. Bonds

About sodium;1H-imidazole;acetate

sodium;1H-imidazole;acetate (PubChem CID 68723506) has the molecular formula C5H7N2NaO2 and a molecular weight of 150.11 g/mol. Its IUPAC name is sodium;1H-imidazole;acetate.

Molecular Properties

Compound Namesodium;1H-imidazole;acetate
PubChem CID68723506
Molecular FormulaC5H7N2NaO2
Molecular Weight150.11 g/mol
Exact Mass150.04
IUPAC Namesodium;1H-imidazole;acetate
SMILESCC(=O)[O-].[Na+].c1c[nH]cn1
InChIInChI=1S/C3H4N2.C2H4O2.Na/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H,3,4);/q;;+1/p-1
InChIKeyGQCLVGRUNQHONC-UHFFFAOYSA-M
XLogP-3.83
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-3.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;1H-imidazole;acetate?
The IUPAC name of sodium;1H-imidazole;acetate (CID 68723506) is sodium;1H-imidazole;acetate.
What is the SMILES notation for sodium;1H-imidazole;acetate?
The canonical SMILES for sodium;1H-imidazole;acetate is CC(=O)[O-].[Na+].c1c[nH]cn1.
What is the InChIKey of sodium;1H-imidazole;acetate?
The InChIKey is GQCLVGRUNQHONC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2.C2H4O2.Na/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;1H-imidazole;acetate?
sodium;1H-imidazole;acetate has a molecular weight of 150.11 g/mol, XLogP of -3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1H-imidazole;acetate is sourced from PubChem (CID 68723506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).