1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C15H18N6O — CID 138034530

IUPAC1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2cnnn2Cc2ccccc2)no1
InChIInChI=1S/C15H18N6O/c1-12-17-15(18-22-12)11-20(2)10-14-8-16-19-21(14)9-13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3
InChIKeyCLFGLDBHYIAWAH-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.65
Rot. Bonds6

About 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 138034530) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID138034530
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2cnnn2Cc2ccccc2)no1
InChIInChI=1S/C15H18N6O/c1-12-17-15(18-22-12)11-20(2)10-14-8-16-19-21(14)9-13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3
InChIKeyCLFGLDBHYIAWAH-UHFFFAOYSA-N
XLogP1.65
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 138034530) is 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CN(C)Cc2cnnn2Cc2ccccc2)no1.
What is the InChIKey of 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is CLFGLDBHYIAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-12-17-15(18-22-12)11-20(2)10-14-8-16-19-21(14)9-13-6-4-3-5-7-13/h3-8H,9-11H2,1-2H3.
What are the key properties of 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 298.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyltriazol-4-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 138034530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).