2-(2,5-dimethylphenyl)-4,5-dimethyltriazole

C12H15N3 — CID 54146141

IUPAC2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
SMILESCc1ccc(C)c(-n2nc(C)c(C)n2)c1
InChIInChI=1S/C12H15N3/c1-8-5-6-9(2)12(7-8)15-13-10(3)11(4)14-15/h5-7H,1-4H3
InChIKeyWOLPBRXKFCRCER-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.50
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole

2-(2,5-dimethylphenyl)-4,5-dimethyltriazole (PubChem CID 54146141) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
PubChem CID54146141
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(2,5-dimethylphenyl)-4,5-dimethyltriazole
SMILESCc1ccc(C)c(-n2nc(C)c(C)n2)c1
InChIInChI=1S/C12H15N3/c1-8-5-6-9(2)12(7-8)15-13-10(3)11(4)14-15/h5-7H,1-4H3
InChIKeyWOLPBRXKFCRCER-UHFFFAOYSA-N
XLogP2.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole?
The IUPAC name of 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole (CID 54146141) is 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole is Cc1ccc(C)c(-n2nc(C)c(C)n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole?
The InChIKey is WOLPBRXKFCRCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-5-6-9(2)12(7-8)15-13-10(3)11(4)14-15/h5-7H,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole?
2-(2,5-dimethylphenyl)-4,5-dimethyltriazole has a molecular weight of 201.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 54146141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).