N-[2-(triazol-1-yl)phenyl]oxan-4-amine

C13H16N4O — CID 43676068

IUPACN-[2-(triazol-1-yl)phenyl]oxan-4-amine
SMILESc1ccc(-n2ccnn2)c(NC2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c1-2-4-13(17-8-7-14-16-17)12(3-1)15-11-5-9-18-10-6-11/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyHYYAYRHHYWGTIN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.86
Rot. Bonds3

About N-[2-(triazol-1-yl)phenyl]oxan-4-amine

N-[2-(triazol-1-yl)phenyl]oxan-4-amine (PubChem CID 43676068) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)phenyl]oxan-4-amine
PubChem CID43676068
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[2-(triazol-1-yl)phenyl]oxan-4-amine
SMILESc1ccc(-n2ccnn2)c(NC2CCOCC2)c1
InChIInChI=1S/C13H16N4O/c1-2-4-13(17-8-7-14-16-17)12(3-1)15-11-5-9-18-10-6-11/h1-4,7-8,11,15H,5-6,9-10H2
InChIKeyHYYAYRHHYWGTIN-UHFFFAOYSA-N
XLogP1.86
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(triazol-1-yl)phenyl]oxan-4-amine 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-[2-(triazol-1-yl)phenyl]oxan-4-amine?
The IUPAC name of N-[2-(triazol-1-yl)phenyl]oxan-4-amine (CID 43676068) is N-[2-(triazol-1-yl)phenyl]oxan-4-amine.
What is the SMILES notation for N-[2-(triazol-1-yl)phenyl]oxan-4-amine?
The canonical SMILES for N-[2-(triazol-1-yl)phenyl]oxan-4-amine is c1ccc(-n2ccnn2)c(NC2CCOCC2)c1.
What is the InChIKey of N-[2-(triazol-1-yl)phenyl]oxan-4-amine?
The InChIKey is HYYAYRHHYWGTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-4-13(17-8-7-14-16-17)12(3-1)15-11-5-9-18-10-6-11/h1-4,7-8,11,15H,5-6,9-10H2.
What are the key properties of N-[2-(triazol-1-yl)phenyl]oxan-4-amine?
N-[2-(triazol-1-yl)phenyl]oxan-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)phenyl]oxan-4-amine is sourced from PubChem (CID 43676068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).