copper;1-(2-methylphenyl)triazole

C9H9CuN3 — CID 141369525

IUPACcopper;1-(2-methylphenyl)triazole
SMILESCc1ccccc1-n1ccnn1.[Cu]
InChIInChI=1S/C9H9N3.Cu/c1-8-4-2-3-5-9(8)12-7-6-10-11-12;/h2-7H,1H3;
InChIKeyTZCHNXKXIHPKIK-UHFFFAOYSA-N
MW222.74 g/mol
LogP1.57
Rot. Bonds1

About copper;1-(2-methylphenyl)triazole

copper;1-(2-methylphenyl)triazole (PubChem CID 141369525) has the molecular formula C9H9CuN3 and a molecular weight of 222.74 g/mol. Its IUPAC name is copper;1-(2-methylphenyl)triazole.

Molecular Properties

Compound Namecopper;1-(2-methylphenyl)triazole
PubChem CID141369525
Molecular FormulaC9H9CuN3
Molecular Weight222.74 g/mol
Exact Mass222.01
IUPAC Namecopper;1-(2-methylphenyl)triazole
SMILESCc1ccccc1-n1ccnn1.[Cu]
InChIInChI=1S/C9H9N3.Cu/c1-8-4-2-3-5-9(8)12-7-6-10-11-12;/h2-7H,1H3;
InChIKeyTZCHNXKXIHPKIK-UHFFFAOYSA-N
XLogP1.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-methylphenyl)tetrazole;hydrochloride
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1-(2-bromo-4-methylphenyl)triazole
CID 84700534
8-methyl-N-[2-(triazol-1-yl)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
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Frequently Asked Questions

What is the IUPAC name of copper;1-(2-methylphenyl)triazole?
The IUPAC name of copper;1-(2-methylphenyl)triazole (CID 141369525) is copper;1-(2-methylphenyl)triazole.
What is the SMILES notation for copper;1-(2-methylphenyl)triazole?
The canonical SMILES for copper;1-(2-methylphenyl)triazole is Cc1ccccc1-n1ccnn1.[Cu].
What is the InChIKey of copper;1-(2-methylphenyl)triazole?
The InChIKey is TZCHNXKXIHPKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.Cu/c1-8-4-2-3-5-9(8)12-7-6-10-11-12;/h2-7H,1H3;.
What are the key properties of copper;1-(2-methylphenyl)triazole?
copper;1-(2-methylphenyl)triazole has a molecular weight of 222.74 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-(2-methylphenyl)triazole is sourced from PubChem (CID 141369525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).