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

C14H20N4O — CID 96665628

IUPAC2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCCc1cc(-c2nc(CCN)n(C)n2)ccc1OC
InChIInChI=1S/C14H20N4O/c1-4-10-9-11(5-6-12(10)19-3)14-16-13(7-8-15)18(2)17-14/h5-6,9H,4,7-8,15H2,1-3H3
InChIKeyAKVDGKGLLVSQPU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.55
Rot. Bonds5

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

2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 96665628) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID96665628
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCCc1cc(-c2nc(CCN)n(C)n2)ccc1OC
InChIInChI=1S/C14H20N4O/c1-4-10-9-11(5-6-12(10)19-3)14-16-13(7-8-15)18(2)17-14/h5-6,9H,4,7-8,15H2,1-3H3
InChIKeyAKVDGKGLLVSQPU-UHFFFAOYSA-N
XLogP1.55
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-ethyl-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96662993
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96665644
2-[2-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478691
4-bromo-3-(3-ethyl-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 116858418
5-(3-ethyl-4-methoxyphenyl)-1,3-oxazol-2-amine
CID 82285421
[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82484705
6-(3-ethyl-4-methoxyphenyl)imidazo[1,2-b]pyridazine
CID 116854258
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine (CID 96665628) is 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine is CCc1cc(-c2nc(CCN)n(C)n2)ccc1OC.
What is the InChIKey of 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is AKVDGKGLLVSQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-10-9-11(5-6-12(10)19-3)14-16-13(7-8-15)18(2)17-14/h5-6,9H,4,7-8,15H2,1-3H3.
What are the key properties of 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 96665628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).