3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline

C16H16N4O — CID 28774635

IUPAC3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
SMILESCOc1cccc(NCc2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C16H16N4O/c1-21-16-9-5-6-13(10-16)17-11-14-12-18-20(19-14)15-7-3-2-4-8-15/h2-10,12,17H,11H2,1H3
InChIKeyOLNNOGPSVSHRHA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds5

About 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline

3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline (PubChem CID 28774635) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
PubChem CID28774635
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
SMILESCOc1cccc(NCc2cnn(-c3ccccc3)n2)c1
InChIInChI=1S/C16H16N4O/c1-21-16-9-5-6-13(10-16)17-11-14-12-18-20(19-14)15-7-3-2-4-8-15/h2-10,12,17H,11H2,1H3
InChIKeyOLNNOGPSVSHRHA-UHFFFAOYSA-N
XLogP2.89
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[(2-phenyltriazol-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

1-(3-methoxyphenyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 17455113
3-chloro-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28542666
3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62886369
3-chloro-4-fluoro-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28938086
N-[(3-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691927
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
2-(3-methoxyphenyl)triazol-4-amine
CID 82404083
2,5-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 29047782
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211
3-methoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
CID 6623412
7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one
CID 26318921
3-methoxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682400

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline?
The IUPAC name of 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline (CID 28774635) is 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline is COc1cccc(NCc2cnn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline?
The InChIKey is OLNNOGPSVSHRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-16-9-5-6-13(10-16)17-11-14-12-18-20(19-14)15-7-3-2-4-8-15/h2-10,12,17H,11H2,1H3.
What are the key properties of 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline?
3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline has a molecular weight of 280.33 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 28774635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).