1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine

C13H13ClN6O — CID 66214422

IUPAC1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nc(-c3ccccc3Cl)no2)nn1
InChIInChI=1S/C13H13ClN6O/c1-15-6-9-7-20(19-17-9)8-12-16-13(18-21-12)10-4-2-3-5-11(10)14/h2-5,7,15H,6,8H2,1H3
InChIKeyWGPWOHVTKNMERB-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.75
Rot. Bonds5

About 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine

1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 66214422) has the molecular formula C13H13ClN6O and a molecular weight of 304.74 g/mol. Its IUPAC name is 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID66214422
Molecular FormulaC13H13ClN6O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC Name1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(Cc2nc(-c3ccccc3Cl)no2)nn1
InChIInChI=1S/C13H13ClN6O/c1-15-6-9-7-20(19-17-9)8-12-16-13(18-21-12)10-4-2-3-5-11(10)14/h2-5,7,15H,6,8H2,1H3
InChIKeyWGPWOHVTKNMERB-UHFFFAOYSA-N
XLogP1.75
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine with MolForge

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Related Compounds

[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62400932
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79529900
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
1-[1-[2-[(2-chlorophenyl)methoxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 62445319
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
5-[[4-(bromomethyl)triazol-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 62401990
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62401201
3-(2-chlorophenyl)-5-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 137458185
N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214231

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine (CID 66214422) is 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(Cc2nc(-c3ccccc3Cl)no2)nn1.
What is the InChIKey of 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is WGPWOHVTKNMERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O/c1-15-6-9-7-20(19-17-9)8-12-16-13(18-21-12)10-4-2-3-5-11(10)14/h2-5,7,15H,6,8H2,1H3.
What are the key properties of 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 304.74 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66214422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).