4-methyl-5-(2-phenylethyl)-2H-triazole

C11H13N3 — CID 134854544

IUPAC4-methyl-5-(2-phenylethyl)-2H-triazole
SMILESCc1n[nH]nc1CCc1ccccc1
InChIInChI=1S/C11H13N3/c1-9-11(13-14-12-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyCQYMZZYIOFPVAW-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.90
Rot. Bonds3

About 4-methyl-5-(2-phenylethyl)-2H-triazole

4-methyl-5-(2-phenylethyl)-2H-triazole (PubChem CID 134854544) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-methyl-5-(2-phenylethyl)-2H-triazole.

Molecular Properties

Compound Name4-methyl-5-(2-phenylethyl)-2H-triazole
PubChem CID134854544
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-methyl-5-(2-phenylethyl)-2H-triazole
SMILESCc1n[nH]nc1CCc1ccccc1
InChIInChI=1S/C11H13N3/c1-9-11(13-14-12-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyCQYMZZYIOFPVAW-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-phenylethyl)-2H-triazole?
The IUPAC name of 4-methyl-5-(2-phenylethyl)-2H-triazole (CID 134854544) is 4-methyl-5-(2-phenylethyl)-2H-triazole.
What is the SMILES notation for 4-methyl-5-(2-phenylethyl)-2H-triazole?
The canonical SMILES for 4-methyl-5-(2-phenylethyl)-2H-triazole is Cc1n[nH]nc1CCc1ccccc1.
What is the InChIKey of 4-methyl-5-(2-phenylethyl)-2H-triazole?
The InChIKey is CQYMZZYIOFPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-11(13-14-12-9)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14).
What are the key properties of 4-methyl-5-(2-phenylethyl)-2H-triazole?
4-methyl-5-(2-phenylethyl)-2H-triazole has a molecular weight of 187.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-phenylethyl)-2H-triazole is sourced from PubChem (CID 134854544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).