1-(2-ethylphenyl)-4,5-dimethyltriazole

C12H15N3 — CID 58328350

IUPAC1-(2-ethylphenyl)-4,5-dimethyltriazole
SMILESCCc1ccccc1-n1nnc(C)c1C
InChIInChI=1S/C12H15N3/c1-4-11-7-5-6-8-12(11)15-10(3)9(2)13-14-15/h5-8H,4H2,1-3H3
InChIKeyPYQFAQRBZBCOIQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-ethylphenyl)-4,5-dimethyltriazole

1-(2-ethylphenyl)-4,5-dimethyltriazole (PubChem CID 58328350) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4,5-dimethyltriazole
PubChem CID58328350
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-(2-ethylphenyl)-4,5-dimethyltriazole
SMILESCCc1ccccc1-n1nnc(C)c1C
InChIInChI=1S/C12H15N3/c1-4-11-7-5-6-8-12(11)15-10(3)9(2)13-14-15/h5-8H,4H2,1-3H3
InChIKeyPYQFAQRBZBCOIQ-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4,5-dimethyltriazole?
The IUPAC name of 1-(2-ethylphenyl)-4,5-dimethyltriazole (CID 58328350) is 1-(2-ethylphenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 1-(2-ethylphenyl)-4,5-dimethyltriazole?
The canonical SMILES for 1-(2-ethylphenyl)-4,5-dimethyltriazole is CCc1ccccc1-n1nnc(C)c1C.
What is the InChIKey of 1-(2-ethylphenyl)-4,5-dimethyltriazole?
The InChIKey is PYQFAQRBZBCOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-4-11-7-5-6-8-12(11)15-10(3)9(2)13-14-15/h5-8H,4H2,1-3H3.
What are the key properties of 1-(2-ethylphenyl)-4,5-dimethyltriazole?
1-(2-ethylphenyl)-4,5-dimethyltriazole has a molecular weight of 201.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 58328350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).