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

C14H20N4O — CID 98017069

IUPAC2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCc1ccc(OCCc2nc(CCN)nn2C)cc1
InChIInChI=1S/C14H20N4O/c1-11-3-5-12(6-4-11)19-10-8-14-16-13(7-9-15)17-18(14)2/h3-6H,7-10,15H2,1-2H3
InChIKeyJULDUMYTTBVDJH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.25
Rot. Bonds6

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

2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 98017069) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID98017069
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCc1ccc(OCCc2nc(CCN)nn2C)cc1
InChIInChI=1S/C14H20N4O/c1-11-3-5-12(6-4-11)19-10-8-14-16-13(7-9-15)17-18(14)2/h3-6H,7-10,15H2,1-2H3
InChIKeyJULDUMYTTBVDJH-UHFFFAOYSA-N
XLogP1.25
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
[2-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82475269
2-[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]ethanamine
CID 96660424
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
2-[5-[(4-ethoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 98017072
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82467863
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
3-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475291
2-[5-[(4-chlorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481043
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
4-[2-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 96665204

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine (CID 98017069) is 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine is Cc1ccc(OCCc2nc(CCN)nn2C)cc1.
What is the InChIKey of 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is JULDUMYTTBVDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-3-5-12(6-4-11)19-10-8-14-16-13(7-9-15)17-18(14)2/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine?
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 98017069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).