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

C17H24N4 — CID 79460057

IUPAC5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole
SMILESCc1ccccc1C1(Cc2ncnn2CC(C)C)CNC1
InChIInChI=1S/C17H24N4/c1-13(2)9-21-16(19-12-20-21)8-17(10-18-11-17)15-7-5-4-6-14(15)3/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyAIPMBTUPZXTQLA-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.33
Rot. Bonds5

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

5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole (PubChem CID 79460057) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole
PubChem CID79460057
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole
SMILESCc1ccccc1C1(Cc2ncnn2CC(C)C)CNC1
InChIInChI=1S/C17H24N4/c1-13(2)9-21-16(19-12-20-21)8-17(10-18-11-17)15-7-5-4-6-14(15)3/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyAIPMBTUPZXTQLA-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole (CID 79460057) is 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole is Cc1ccccc1C1(Cc2ncnn2CC(C)C)CNC1.
What is the InChIKey of 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is AIPMBTUPZXTQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(2)9-21-16(19-12-20-21)8-17(10-18-11-17)15-7-5-4-6-14(15)3/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole?
5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 284.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 79460057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).