4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole

C15H21N3O — CID 75499140

IUPAC4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole
SMILESCCc1ccc(C)cc1OCc1nnc(C)n1CC
InChIInChI=1S/C15H21N3O/c1-5-13-8-7-11(3)9-14(13)19-10-15-17-16-12(4)18(15)6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyNQKSYIHQIBPYLA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds5

About 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole

4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole (PubChem CID 75499140) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole
PubChem CID75499140
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole
SMILESCCc1ccc(C)cc1OCc1nnc(C)n1CC
InChIInChI=1S/C15H21N3O/c1-5-13-8-7-11(3)9-14(13)19-10-15-17-16-12(4)18(15)6-2/h7-9H,5-6,10H2,1-4H3
InChIKeyNQKSYIHQIBPYLA-UHFFFAOYSA-N
XLogP3.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-[[3-(methoxymethyl)phenoxy]methyl]-5-methyl-1,2,4-triazole
CID 75517770
ethyl 2-[[5-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 17307694
3-[(4-chlorophenyl)methylsulfanyl]-5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazole
CID 126356402
2-[[5-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide
CID 17304167
2-[[5-[(2-tert-butyl-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 53263444
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]ethanol
CID 63650922
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 43525056
1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640814
2-[[5-[(2-chloro-5-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 21164052
2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 126362116
N-benzyl-2-[[4-ethyl-5-[(2-methoxy-4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4543388
2-[[4-ethyl-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 126175432

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole?
The IUPAC name of 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole (CID 75499140) is 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole is CCc1ccc(C)cc1OCc1nnc(C)n1CC.
What is the InChIKey of 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole?
The InChIKey is NQKSYIHQIBPYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-13-8-7-11(3)9-14(13)19-10-15-17-16-12(4)18(15)6-2/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole?
4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole has a molecular weight of 259.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[(2-ethyl-5-methylphenoxy)methyl]-5-methyl-1,2,4-triazole is sourced from PubChem (CID 75499140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).