2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline

C16H16N4 — CID 62947082

IUPAC2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
SMILESCc1c(N)cccc1-c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C16H16N4/c1-11-13(9-6-10-14(11)17)16-18-15(19-20(16)2)12-7-4-3-5-8-12/h3-10H,17H2,1-2H3
InChIKeyJFYOPSGPANDSMH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.04
Rot. Bonds2

About 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline

2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline (PubChem CID 62947082) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
PubChem CID62947082
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
SMILESCc1c(N)cccc1-c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C16H16N4/c1-11-13(9-6-10-14(11)17)16-18-15(19-20(16)2)12-7-4-3-5-8-12/h3-10H,17H2,1-2H3
InChIKeyJFYOPSGPANDSMH-UHFFFAOYSA-N
XLogP3.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62721289
2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
2-methyl-3-phenylaniline
CID 10511683
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-1,3-dihydrobenzimidazol-2-one
CID 167843149
2-methyl-3-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 62947410
6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 114287525
3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62733376
2-(5-chloro-2-methyl-1,2,4-triazol-3-yl)aniline
CID 84676485
3-(3-amino-2-methylphenyl)-2-methylaniline
CID 15336123
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
CID 59252470
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62721278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
The IUPAC name of 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline (CID 62947082) is 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline.
What is the SMILES notation for 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
The canonical SMILES for 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline is Cc1c(N)cccc1-c1nc(-c2ccccc2)nn1C.
What is the InChIKey of 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
The InChIKey is JFYOPSGPANDSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-13(9-6-10-14(11)17)16-18-15(19-20(16)2)12-7-4-3-5-8-12/h3-10H,17H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline?
2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline has a molecular weight of 264.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 62947082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).