2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine

C14H20N4 — CID 82478690

IUPAC2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(CCN)nn2C)c(C)c1
InChIInChI=1S/C14H20N4/c1-9-7-10(2)13(11(3)8-9)14-16-12(5-6-15)17-18(14)4/h7-8H,5-6,15H2,1-4H3
InChIKeyVPMQDQAWPXMVNQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.91
Rot. Bonds3

About 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine

2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82478690) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID82478690
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(C)c(-c2nc(CCN)nn2C)c(C)c1
InChIInChI=1S/C14H20N4/c1-9-7-10(2)13(11(3)8-9)14-16-12(5-6-15)17-18(14)4/h7-8H,5-6,15H2,1-4H3
InChIKeyVPMQDQAWPXMVNQ-UHFFFAOYSA-N
XLogP1.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82479524
2-[2-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478691
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
2-[2-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 82483725
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
2-[4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 82299318
2-[5-bromo-3-methyl-2-(2,4,6-trimethylphenyl)imidazol-4-yl]ethanamine
CID 84604920
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82479150
2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489655
2-[1-methyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82480386
2-[4-bromo-1-methyl-5-(2,4,6-trimethylphenyl)pyrazol-3-yl]ethanamine
CID 84604966
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine (CID 82478690) is 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine is Cc1cc(C)c(-c2nc(CCN)nn2C)c(C)c1.
What is the InChIKey of 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is VPMQDQAWPXMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-7-10(2)13(11(3)8-9)14-16-12(5-6-15)17-18(14)4/h7-8H,5-6,15H2,1-4H3.
What are the key properties of 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82478690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).