bis(benzotriazol-1-ide);gold

C12H8AuN6-2 — CID 59873850

IUPACbis(benzotriazol-1-ide);gold
SMILES[Au].c1ccc2[n-]nnc2c1.c1ccc2[n-]nnc2c1
InChIInChI=1S/2C6H4N3.Au/c2*1-2-4-6-5(3-1)7-9-8-6;/h2*1-4H;/q2*-1;
InChIKeyRXZWCQJPDWRUMB-UHFFFAOYSA-N
MW433.21 g/mol
LogP1.17
Rot. Bonds

About bis(benzotriazol-1-ide);gold

bis(benzotriazol-1-ide);gold (PubChem CID 59873850) has the molecular formula C12H8AuN6-2 and a molecular weight of 433.21 g/mol. Its IUPAC name is bis(benzotriazol-1-ide);gold.

Molecular Properties

Compound Namebis(benzotriazol-1-ide);gold
PubChem CID59873850
Molecular FormulaC12H8AuN6-2
Molecular Weight433.21 g/mol
Exact Mass433.05
IUPAC Namebis(benzotriazol-1-ide);gold
SMILES[Au].c1ccc2[n-]nnc2c1.c1ccc2[n-]nnc2c1
InChIInChI=1S/2C6H4N3.Au/c2*1-2-4-6-5(3-1)7-9-8-6;/h2*1-4H;/q2*-1;
InChIKeyRXZWCQJPDWRUMB-UHFFFAOYSA-N
XLogP1.17
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium benzotriazol-1-ide
CID 3517935
benzotriazol-1-ide;dioxotitanium
CID 87440324
benzotriazol-1-ide;methanol;uranium
CID 161028808
phenazine;silver
CID 175026023
silver benzimidazol-1-ide
CID 24939896
silver 2-methylbenzimidazol-1-ide
CID 46784053
lithium 2-methylbenzimidazol-1-ide
CID 131740995
2-methylbenzimidazol-1-ide;yttrium
CID 59098019
hydron;phenazine
CID 175446889
methane;3-methylbenzo[c]cinnoline
CID 157102255
3,4-dichlorocinnoline
CID 14643415
tris(benzotriazol-1-yl)borane
CID 101187740

Frequently Asked Questions

What is the IUPAC name of bis(benzotriazol-1-ide);gold?
The IUPAC name of bis(benzotriazol-1-ide);gold (CID 59873850) is bis(benzotriazol-1-ide);gold.
What is the SMILES notation for bis(benzotriazol-1-ide);gold?
The canonical SMILES for bis(benzotriazol-1-ide);gold is [Au].c1ccc2[n-]nnc2c1.c1ccc2[n-]nnc2c1.
What is the InChIKey of bis(benzotriazol-1-ide);gold?
The InChIKey is RXZWCQJPDWRUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4N3.Au/c2*1-2-4-6-5(3-1)7-9-8-6;/h2*1-4H;/q2*-1;.
What are the key properties of bis(benzotriazol-1-ide);gold?
bis(benzotriazol-1-ide);gold has a molecular weight of 433.21 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzotriazol-1-ide);gold is sourced from PubChem (CID 59873850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).