4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole

C13H17N3 — CID 115394754

IUPAC4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
SMILESCCn1cnnc1CCc1ccccc1C
InChIInChI=1S/C13H17N3/c1-3-16-10-14-15-13(16)9-8-12-7-5-4-6-11(12)2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyPTVOUXCDFXRXPM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.39
Rot. Bonds4

About 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole

4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole (PubChem CID 115394754) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
PubChem CID115394754
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
SMILESCCn1cnnc1CCc1ccccc1C
InChIInChI=1S/C13H17N3/c1-3-16-10-14-15-13(16)9-8-12-7-5-4-6-11(12)2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyPTVOUXCDFXRXPM-UHFFFAOYSA-N
XLogP2.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methylphenyl)ethyl]-4-propan-2-yl-1,2,4-triazole
CID 115393901
3-[(2-chlorophenyl)methyl]-4-ethyl-1,2,4-triazole
CID 115394894
N-methyl-1-[4-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82471565
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
3-chloro-4-[(2-methylphenyl)methyl]-1,2,4-triazole
CID 63385384
N,4-diethyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-amine
CID 112596739
4-ethyl-3-(2-fluoro-3-methylphenyl)-1,2,4-triazole
CID 115394918
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82469730
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82014118
4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
CID 141167274
3,4-bis(2-phenylethyl)-1,2,4-triazole
CID 141167257
3-(2-aminophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide;dihydrochloride
CID 120612519

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole (CID 115394754) is 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole is CCn1cnnc1CCc1ccccc1C.
What is the InChIKey of 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
The InChIKey is PTVOUXCDFXRXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-16-10-14-15-13(16)9-8-12-7-5-4-6-11(12)2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole?
4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole has a molecular weight of 215.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 115394754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).