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

C11H14N4O — CID 62952057

IUPAC1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCOc1ccc(-c2n[nH]c(C(C)N)n2)cc1
InChIInChI=1S/C11H14N4O/c1-7(12)10-13-11(15-14-10)8-3-5-9(16-2)6-4-8/h3-7H,12H2,1-2H3,(H,13,14,15)
InChIKeyZABUVSRNJDAUSV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.50
Rot. Bonds3

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

1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 62952057) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID62952057
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESCOc1ccc(-c2n[nH]c(C(C)N)n2)cc1
InChIInChI=1S/C11H14N4O/c1-7(12)10-13-11(15-14-10)8-3-5-9(16-2)6-4-8/h3-7H,12H2,1-2H3,(H,13,14,15)
InChIKeyZABUVSRNJDAUSV-UHFFFAOYSA-N
XLogP1.50
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 62952057) is 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine is COc1ccc(-c2n[nH]c(C(C)N)n2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is ZABUVSRNJDAUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(12)10-13-11(15-14-10)8-3-5-9(16-2)6-4-8/h3-7H,12H2,1-2H3,(H,13,14,15).
What are the key properties of 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine?
1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 62952057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).