gold(3+);tris(2H-triazole-4-carboxylate)

C9H6AuN9O6 — CID 175349287

IUPACgold(3+);tris(2H-triazole-4-carboxylate)
SMILESO=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.[Au+3]
InChIInChI=1S/3C3H3N3O2.Au/c3*7-3(8)2-1-4-6-5-2;/h3*1H,(H,7,8)(H,4,5,6);/q;;;+3/p-3
InChIKeyNUXGFTHDGFVSPQ-UHFFFAOYSA-K
MW533.17 g/mol
LogP-5.50
Rot. Bonds3

About gold(3+);tris(2H-triazole-4-carboxylate)

gold(3+);tris(2H-triazole-4-carboxylate) (PubChem CID 175349287) has the molecular formula C9H6AuN9O6 and a molecular weight of 533.17 g/mol. Its IUPAC name is gold(3+);tris(2H-triazole-4-carboxylate).

Molecular Properties

Compound Namegold(3+);tris(2H-triazole-4-carboxylate)
PubChem CID175349287
Molecular FormulaC9H6AuN9O6
Molecular Weight533.17 g/mol
Exact Mass533.01
IUPAC Namegold(3+);tris(2H-triazole-4-carboxylate)
SMILESO=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.[Au+3]
InChIInChI=1S/3C3H3N3O2.Au/c3*7-3(8)2-1-4-6-5-2;/h3*1H,(H,7,8)(H,4,5,6);/q;;;+3/p-3
InChIKeyNUXGFTHDGFVSPQ-UHFFFAOYSA-K
XLogP-5.50
TPSA245.10 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.17
LogP ≤ 5-5.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

magnesium bis(2H-triazole-4-carboxylate)
CID 170158138
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
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-one
CID 114473680
(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
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
1,4-thiazepan-4-yl(2H-triazol-4-yl)methanone
CID 78968241

Frequently Asked Questions

What is the IUPAC name of gold(3+);tris(2H-triazole-4-carboxylate)?
The IUPAC name of gold(3+);tris(2H-triazole-4-carboxylate) (CID 175349287) is gold(3+);tris(2H-triazole-4-carboxylate).
What is the SMILES notation for gold(3+);tris(2H-triazole-4-carboxylate)?
The canonical SMILES for gold(3+);tris(2H-triazole-4-carboxylate) is O=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.O=C([O-])c1cn[nH]n1.[Au+3].
What is the InChIKey of gold(3+);tris(2H-triazole-4-carboxylate)?
The InChIKey is NUXGFTHDGFVSPQ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H3N3O2.Au/c3*7-3(8)2-1-4-6-5-2;/h3*1H,(H,7,8)(H,4,5,6);/q;;;+3/p-3.
What are the key properties of gold(3+);tris(2H-triazole-4-carboxylate)?
gold(3+);tris(2H-triazole-4-carboxylate) has a molecular weight of 533.17 g/mol, XLogP of -5.50, 3 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for gold(3+);tris(2H-triazole-4-carboxylate) is sourced from PubChem (CID 175349287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).