4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline

C13H19N5 — CID 82479150

IUPAC4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(CCN)nn2C)cc1
InChIInChI=1S/C13H19N5/c1-17(2)11-6-4-10(5-7-11)13-15-12(8-9-14)16-18(13)3/h4-7H,8-9,14H2,1-3H3
InChIKeyRYGRXMVRMZNTSH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.05
Rot. Bonds4

About 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline

4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline (PubChem CID 82479150) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
PubChem CID82479150
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(CCN)nn2C)cc1
InChIInChI=1S/C13H19N5/c1-17(2)11-6-4-10(5-7-11)13-15-12(8-9-14)16-18(13)3/h4-7H,8-9,14H2,1-3H3
InChIKeyRYGRXMVRMZNTSH-UHFFFAOYSA-N
XLogP1.05
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
2-[1-methyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82480386
2-[5-(4-ethoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662776
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
2-[5-(5-bromothiophen-2-yl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489655
1-methyl-5-phenyl-3-propyl-1,2,4-triazole;ruthenium(3+)
CID 160958444
3-[5-(4-chlorophenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82486818
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82467863
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 62696261

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline (CID 82479150) is 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(CCN)nn2C)cc1.
What is the InChIKey of 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
The InChIKey is RYGRXMVRMZNTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17(2)11-6-4-10(5-7-11)13-15-12(8-9-14)16-18(13)3/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline?
4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline has a molecular weight of 245.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoethyl)-2-methyl-1,2,4-triazol-3-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82479150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).