2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine

C14H20N4O — CID 82484722

IUPAC2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCOc1c(C)cc(-c2n[nH]c(CCN)n2)c(C)c1C
InChIInChI=1S/C14H20N4O/c1-8-7-11(9(2)10(3)13(8)19-4)14-16-12(5-6-15)17-18-14/h7H,5-6,15H2,1-4H3,(H,16,17,18)
InChIKeySFDLGXPUSQYODI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds4

About 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine

2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 82484722) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID82484722
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCOc1c(C)cc(-c2n[nH]c(CCN)n2)c(C)c1C
InChIInChI=1S/C14H20N4O/c1-8-7-11(9(2)10(3)13(8)19-4)14-16-12(5-6-15)17-18-14/h7H,5-6,15H2,1-4H3,(H,16,17,18)
InChIKeySFDLGXPUSQYODI-UHFFFAOYSA-N
XLogP1.91
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 66486746
2-[5-(4-methoxy-2,3,5-trimethylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82301218
2-[3-(5-tert-butyl-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96669762
2-[3-(4-tert-butyl-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82483721
2-[3-(2-methoxy-4,6-dimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82479526
2-[3-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103083999
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62952070
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
3,4-dimethyl-5-(5-propyl-1H-1,2,4-triazol-3-yl)aniline
CID 63019647
5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569309

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 82484722) is 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine is COc1c(C)cc(-c2n[nH]c(CCN)n2)c(C)c1C.
What is the InChIKey of 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is SFDLGXPUSQYODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-8-7-11(9(2)10(3)13(8)19-4)14-16-12(5-6-15)17-18-14/h7H,5-6,15H2,1-4H3,(H,16,17,18).
What are the key properties of 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxy-2,3,5-trimethylphenyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 82484722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).