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

C12H16N4O — CID 107447326

IUPACN-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCCNCc1ncnn1-c1ccc(OC)cc1
InChIInChI=1S/C12H16N4O/c1-3-13-8-12-14-9-15-16(12)10-4-6-11(17-2)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyMUILVFYTEUICNE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.39
Rot. Bonds5

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

N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine (PubChem CID 107447326) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine
PubChem CID107447326
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine
SMILESCCNCc1ncnn1-c1ccc(OC)cc1
InChIInChI=1S/C12H16N4O/c1-3-13-8-12-14-9-15-16(12)10-4-6-11(17-2)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyMUILVFYTEUICNE-UHFFFAOYSA-N
XLogP1.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine (CID 107447326) is N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine is CCNCc1ncnn1-c1ccc(OC)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
The InChIKey is MUILVFYTEUICNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-13-8-12-14-9-15-16(12)10-4-6-11(17-2)7-5-10/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine?
N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 107447326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).