disodium;1H-1,2,4-triazole-3,5-dicarboxylate

C4HN3Na2O4 — CID 137333270

IUPACdisodium;1H-1,2,4-triazole-3,5-dicarboxylate
SMILESO=C([O-])c1n[nH]c(C(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C4H3N3O4.2Na/c8-3(9)1-5-2(4(10)11)7-6-1;;/h(H,8,9)(H,10,11)(H,5,6,7);;/q;2*+1/p-2
InChIKeyWSGLUAGHIOOKFK-UHFFFAOYSA-L
MW201.05 g/mol
LogP-9.46
Rot. Bonds2

About disodium;1H-1,2,4-triazole-3,5-dicarboxylate

disodium;1H-1,2,4-triazole-3,5-dicarboxylate (PubChem CID 137333270) has the molecular formula C4HN3Na2O4 and a molecular weight of 201.05 g/mol. Its IUPAC name is disodium;1H-1,2,4-triazole-3,5-dicarboxylate.

Molecular Properties

Compound Namedisodium;1H-1,2,4-triazole-3,5-dicarboxylate
PubChem CID137333270
Molecular FormulaC4HN3Na2O4
Molecular Weight201.05 g/mol
Exact Mass200.98
IUPAC Namedisodium;1H-1,2,4-triazole-3,5-dicarboxylate
SMILESO=C([O-])c1n[nH]c(C(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C4H3N3O4.2Na/c8-3(9)1-5-2(4(10)11)7-6-1;;/h(H,8,9)(H,10,11)(H,5,6,7);;/q;2*+1/p-2
InChIKeyWSGLUAGHIOOKFK-UHFFFAOYSA-L
XLogP-9.46
TPSA121.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 5-9.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-1,2,4-triazole-3,5-dicarboxylic acid
CID 14948771
potassium;5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboxylate;hydrate
CID 162341841
1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone
CID 638658
4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
CID 3748774
3-heptanoyl-1H-1,2,4-triazole-5-carboxamide
CID 86734455
sodium 5-[2-(2,3,4-trimethoxyanilino)ethyl]-1H-1,2,4-triazole-3-carboxylate
CID 90203083
3-amino-1H-1,2,4-triazole-5-carboxamide
CID 18707494
5-chloro-1H-1,2,4-triazole-3-carboxylic acid
CID 12007254
3-(2-oxohydrazinyl)-1H-1,2,4-triazole-5-carboxylic acid
CID 19165053
sodium 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
CID 54598356
methyl 3-(7-phenylheptanoyl)-1H-1,2,4-triazole-5-carboxylate
CID 24949077
3-piperidin-1-yl-1H-1,2,4-triazole-5-carboxylic acid
CID 83879786

Frequently Asked Questions

What is the IUPAC name of disodium;1H-1,2,4-triazole-3,5-dicarboxylate?
The IUPAC name of disodium;1H-1,2,4-triazole-3,5-dicarboxylate (CID 137333270) is disodium;1H-1,2,4-triazole-3,5-dicarboxylate.
What is the SMILES notation for disodium;1H-1,2,4-triazole-3,5-dicarboxylate?
The canonical SMILES for disodium;1H-1,2,4-triazole-3,5-dicarboxylate is O=C([O-])c1n[nH]c(C(=O)[O-])n1.[Na+].[Na+].
What is the InChIKey of disodium;1H-1,2,4-triazole-3,5-dicarboxylate?
The InChIKey is WSGLUAGHIOOKFK-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H3N3O4.2Na/c8-3(9)1-5-2(4(10)11)7-6-1;;/h(H,8,9)(H,10,11)(H,5,6,7);;/q;2*+1/p-2.
What are the key properties of disodium;1H-1,2,4-triazole-3,5-dicarboxylate?
disodium;1H-1,2,4-triazole-3,5-dicarboxylate has a molecular weight of 201.05 g/mol, XLogP of -9.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1H-1,2,4-triazole-3,5-dicarboxylate is sourced from PubChem (CID 137333270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).