N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline

C16H16N4 — CID 44569168

IUPACN-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline
SMILESCC(c1ccc(Nc2ccccc2)cc1)n1cncn1
InChIInChI=1S/C16H16N4/c1-13(20-12-17-11-18-20)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-13,19H,1H3
InChIKeyDMROGQANENHCJE-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.63
Rot. Bonds4

About N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline

N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline (PubChem CID 44569168) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline
PubChem CID44569168
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline
SMILESCC(c1ccc(Nc2ccccc2)cc1)n1cncn1
InChIInChI=1S/C16H16N4/c1-13(20-12-17-11-18-20)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-13,19H,1H3
InChIKeyDMROGQANENHCJE-UHFFFAOYSA-N
XLogP3.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline?
The IUPAC name of N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline (CID 44569168) is N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline.
What is the SMILES notation for N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline?
The canonical SMILES for N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline is CC(c1ccc(Nc2ccccc2)cc1)n1cncn1.
What is the InChIKey of N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline?
The InChIKey is DMROGQANENHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-13(20-12-17-11-18-20)14-7-9-16(10-8-14)19-15-5-3-2-4-6-15/h2-13,19H,1H3.
What are the key properties of N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline?
N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline has a molecular weight of 264.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[1-(1,2,4-triazol-1-yl)ethyl]aniline is sourced from PubChem (CID 44569168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).