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

C12H16N4O — CID 82475232

IUPAC2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1cccc(-n2nc(C)nc2CCN)c1
InChIInChI=1S/C12H16N4O/c1-9-14-12(6-7-13)16(15-9)10-4-3-5-11(8-10)17-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyROWIEXQEBCLZCL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.09
Rot. Bonds4

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

2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82475232) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82475232
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1cccc(-n2nc(C)nc2CCN)c1
InChIInChI=1S/C12H16N4O/c1-9-14-12(6-7-13)16(15-9)10-4-3-5-11(8-10)17-2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyROWIEXQEBCLZCL-UHFFFAOYSA-N
XLogP1.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489374
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]ethanamine
CID 117123912
2-[2-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481041
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 114799027
3-(3-methoxyphenyl)triazol-4-amine
CID 105444137
[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methanamine
CID 82396636
2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
CID 116818988
2-(3-methoxyphenyl)ethanamine;tetrabromoplumbane
CID 175411262
3-N-ethyl-1-(3-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 114797790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82475232) is 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine is COc1cccc(-n2nc(C)nc2CCN)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is ROWIEXQEBCLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9-14-12(6-7-13)16(15-9)10-4-3-5-11(8-10)17-2/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82475232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).