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

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

N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 115937864
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
N-[(1-ethylpyrrol-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 66400103
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43678210
N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230
N-[(4-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678190
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328746
2-bromo-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756659
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
CID 43678229
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678194
2-(difluoromethylsulfanyl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62756281

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).