5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole

C13H16N4 — CID 84692015

IUPAC5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole
SMILESCc1ccccc1-c1nc(C2CNC2)n(C)n1
InChIInChI=1S/C13H16N4/c1-9-5-3-4-6-11(9)12-15-13(17(2)16-12)10-7-14-8-10/h3-6,10,14H,7-8H2,1-2H3
InChIKeyBOYZYXWGQJMVBR-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.48
Rot. Bonds2

About 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole

5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole (PubChem CID 84692015) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole
PubChem CID84692015
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole
SMILESCc1ccccc1-c1nc(C2CNC2)n(C)n1
InChIInChI=1S/C13H16N4/c1-9-5-3-4-6-11(9)12-15-13(17(2)16-12)10-7-14-8-10/h3-6,10,14H,7-8H2,1-2H3
InChIKeyBOYZYXWGQJMVBR-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
CID 137108562
5-(azetidin-3-yl)-3-tert-butyl-1-methyl-1,2,4-triazole
CID 84665686
5-(azetidin-3-ylmethyl)-3-(2-methylphenyl)-1H-1,2,4-triazole
CID 84692012
3-[1-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]-1H-indole;hydrochloride
CID 163988747
7-methyl-2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157026
2-(2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117128388
2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 115036776
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
3-(azetidin-3-yl)-1,5-dimethyl-1,2,4-triazole
CID 84649668
2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 167776096
4-(2-methylphenyl)-5-piperidin-3-yl-1,2-oxazole
CID 115003871
5-chloro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117133090

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole?
The IUPAC name of 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole (CID 84692015) is 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole is Cc1ccccc1-c1nc(C2CNC2)n(C)n1.
What is the InChIKey of 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole?
The InChIKey is BOYZYXWGQJMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-5-3-4-6-11(9)12-15-13(17(2)16-12)10-7-14-8-10/h3-6,10,14H,7-8H2,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole?
5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole has a molecular weight of 228.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-methyl-3-(2-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 84692015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).