magnesium bis(2H-triazole-4-carboxylate)

C6H4MgN6O4 — CID 170158138

IUPACmagnesium bis(2H-triazole-4-carboxylate)
SMILESO=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.[Mg+2]
InChIInChI=1S/2C3H3N3O2.Mg/c2*7-3(8)2-1-4-6-5-2;/h2*1H,(H,7,8)(H,4,5,6);/q;;+2/p-2
InChIKeyPLKMIGVXYKIRNW-UHFFFAOYSA-L
MW248.44 g/mol
LogP-4.04
Rot. Bonds2

About magnesium bis(2H-triazole-4-carboxylate)

magnesium bis(2H-triazole-4-carboxylate) (PubChem CID 170158138) has the molecular formula C6H4MgN6O4 and a molecular weight of 248.44 g/mol. Its IUPAC name is magnesium bis(2H-triazole-4-carboxylate).

Molecular Properties

Compound Namemagnesium bis(2H-triazole-4-carboxylate)
PubChem CID170158138
Molecular FormulaC6H4MgN6O4
Molecular Weight248.44 g/mol
Exact Mass248.01
IUPAC Namemagnesium bis(2H-triazole-4-carboxylate)
SMILESO=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.[Mg+2]
InChIInChI=1S/2C3H3N3O2.Mg/c2*7-3(8)2-1-4-6-5-2;/h2*1H,(H,7,8)(H,4,5,6);/q;;+2/p-2
InChIKeyPLKMIGVXYKIRNW-UHFFFAOYSA-L
XLogP-4.04
TPSA163.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 5-4.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze magnesium bis(2H-triazole-4-carboxylate) with MolForge

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

Launch Full Analysis

Related Compounds

gold(3+);tris(2H-triazole-4-carboxylate)
CID 175349287
2H-triazole-4-carbohydrazide
CID 50989778
methyl 3-oxo-3-(2H-triazol-4-yl)propanoate
CID 82652977
propan-2-yl 2H-triazole-4-carboxylate
CID 12998526
azocan-1-yl(2H-triazol-4-yl)methanone
CID 47335062
(1Z,4Z)-1,2,4,5-tetrakis(2H-triazol-4-yl)penta-1,4-dien-3-one
CID 70523912
N-propyl-2H-triazole-4-carboxamide
CID 54219715
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-one
CID 114473680
2-hydroxy-1-(2H-triazol-4-yl)ethanethione
CID 91308743
N-ethoxy-2H-triazole-4-carboxamide
CID 61071491
N-[2-(carbamoylamino)ethyl]-2H-triazole-4-carboxamide
CID 78995318
N-(2-phenylcyclopropyl)-2H-triazole-4-carboxamide
CID 47403665

Frequently Asked Questions

What is the IUPAC name of magnesium bis(2H-triazole-4-carboxylate)?
The IUPAC name of magnesium bis(2H-triazole-4-carboxylate) (CID 170158138) is magnesium bis(2H-triazole-4-carboxylate).
What is the SMILES notation for magnesium bis(2H-triazole-4-carboxylate)?
The canonical SMILES for magnesium bis(2H-triazole-4-carboxylate) is O=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.[Mg+2].
What is the InChIKey of magnesium bis(2H-triazole-4-carboxylate)?
The InChIKey is PLKMIGVXYKIRNW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H3N3O2.Mg/c2*7-3(8)2-1-4-6-5-2;/h2*1H,(H,7,8)(H,4,5,6);/q;;+2/p-2.
What are the key properties of magnesium bis(2H-triazole-4-carboxylate)?
magnesium bis(2H-triazole-4-carboxylate) has a molecular weight of 248.44 g/mol, XLogP of -4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(2H-triazole-4-carboxylate) is sourced from PubChem (CID 170158138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).