2-(3,4-dimethylphenyl)triazole

C10H11N3 — CID 90292657

IUPAC2-(3,4-dimethylphenyl)triazole
SMILESCc1ccc(-n2nccn2)cc1C
InChIInChI=1S/C10H11N3/c1-8-3-4-10(7-9(8)2)13-11-5-6-12-13/h3-7H,1-2H3
InChIKeyMSHOKZOLSGYXPR-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.88
Rot. Bonds1

About 2-(3,4-dimethylphenyl)triazole

2-(3,4-dimethylphenyl)triazole (PubChem CID 90292657) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)triazole.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)triazole
PubChem CID90292657
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(3,4-dimethylphenyl)triazole
SMILESCc1ccc(-n2nccn2)cc1C
InChIInChI=1S/C10H11N3/c1-8-3-4-10(7-9(8)2)13-11-5-6-12-13/h3-7H,1-2H3
InChIKeyMSHOKZOLSGYXPR-UHFFFAOYSA-N
XLogP1.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)triazole?
The IUPAC name of 2-(3,4-dimethylphenyl)triazole (CID 90292657) is 2-(3,4-dimethylphenyl)triazole.
What is the SMILES notation for 2-(3,4-dimethylphenyl)triazole?
The canonical SMILES for 2-(3,4-dimethylphenyl)triazole is Cc1ccc(-n2nccn2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)triazole?
The InChIKey is MSHOKZOLSGYXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-3-4-10(7-9(8)2)13-11-5-6-12-13/h3-7H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)triazole?
2-(3,4-dimethylphenyl)triazole has a molecular weight of 173.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)triazole is sourced from PubChem (CID 90292657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).