5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine

C13H12N4O — CID 15421851

IUPAC5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(COc2cccc3ccccc23)n1
InChIInChI=1S/C13H12N4O/c14-13-15-12(16-17-13)8-18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H3,14,15,16,17)
InChIKeyJZLASHVBZLOUMT-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.12
Rot. Bonds3

About 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine

5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 15421851) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine
PubChem CID15421851
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(COc2cccc3ccccc23)n1
InChIInChI=1S/C13H12N4O/c14-13-15-12(16-17-13)8-18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H3,14,15,16,17)
InChIKeyJZLASHVBZLOUMT-UHFFFAOYSA-N
XLogP2.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-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 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine (CID 15421851) is 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(COc2cccc3ccccc23)n1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is JZLASHVBZLOUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-13-15-12(16-17-13)8-18-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H3,14,15,16,17).
What are the key properties of 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine?
5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 240.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 15421851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).