N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine

C12H16N4 — CID 117167256

IUPACN-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine
SMILESCNCCc1cnnn1-c1cccc(C)c1
InChIInChI=1S/C12H16N4/c1-10-4-3-5-11(8-10)16-12(6-7-13-2)9-14-15-16/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyJPVGPGZPVFQOSJ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine

N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine (PubChem CID 117167256) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine
PubChem CID117167256
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine
SMILESCNCCc1cnnn1-c1cccc(C)c1
InChIInChI=1S/C12H16N4/c1-10-4-3-5-11(8-10)16-12(6-7-13-2)9-14-15-16/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyJPVGPGZPVFQOSJ-UHFFFAOYSA-N
XLogP1.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167260
N-[[3-(3-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 107451191
3-[3-(3-chlorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167278
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
N-methyl-1-[2-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 83881004
3-[3-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167403
N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine
CID 114690435
3-[5-[(tert-butylamino)methyl]triazol-1-yl]benzonitrile
CID 107451407
3-[3-(2-bromophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167152
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
N-methyl-1-[3-(3-methylphenyl)imidazol-4-yl]methanamine
CID 83881035
N-[[3-(3,5-dimethylphenyl)triazol-4-yl]methyl]propan-1-amine
CID 107451222

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine (CID 117167256) is N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine is CNCCc1cnnn1-c1cccc(C)c1.
What is the InChIKey of N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine?
The InChIKey is JPVGPGZPVFQOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-10-4-3-5-11(8-10)16-12(6-7-13-2)9-14-15-16/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine?
N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 117167256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).