2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline

C13H14N6O — CID 62755941

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCc1noc(-c2ccccc2NCc2cn(C)nn2)n1
InChIInChI=1S/C13H14N6O/c1-9-15-13(20-17-9)11-5-3-4-6-12(11)14-7-10-8-19(2)18-16-10/h3-6,8,14H,7H2,1-2H3
InChIKeyPJHJMWYYPUKPKQ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.79
Rot. Bonds4

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline (PubChem CID 62755941) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline
PubChem CID62755941
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline
SMILESCc1noc(-c2ccccc2NCc2cn(C)nn2)n1
InChIInChI=1S/C13H14N6O/c1-9-15-13(20-17-9)11-5-3-4-6-12(11)14-7-10-8-19(2)18-16-10/h3-6,8,14H,7H2,1-2H3
InChIKeyPJHJMWYYPUKPKQ-UHFFFAOYSA-N
XLogP1.79
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline (CID 62755941) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline is Cc1noc(-c2ccccc2NCc2cn(C)nn2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline?
The InChIKey is PJHJMWYYPUKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-9-15-13(20-17-9)11-5-3-4-6-12(11)14-7-10-8-19(2)18-16-10/h3-6,8,14H,7H2,1-2H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline has a molecular weight of 270.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 62755941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).