N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine

C12H16N4O2 — CID 82712292

IUPACN-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
SMILESCOCCONCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C12H16N4O2/c1-17-7-8-18-13-9-11-12(15-16-14-11)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3,(H,14,15,16)
InChIKeyLLPHRQSVNCBXQW-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.14
Rot. Bonds7

About N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine

N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine (PubChem CID 82712292) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
PubChem CID82712292
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine
SMILESCOCCONCc1n[nH]nc1-c1ccccc1
InChIInChI=1S/C12H16N4O2/c1-17-7-8-18-13-9-11-12(15-16-14-11)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3,(H,14,15,16)
InChIKeyLLPHRQSVNCBXQW-UHFFFAOYSA-N
XLogP1.14
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine 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-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine (CID 82712292) is N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine is COCCONCc1n[nH]nc1-c1ccccc1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine?
The InChIKey is LLPHRQSVNCBXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-17-7-8-18-13-9-11-12(15-16-14-11)10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3,(H,14,15,16).
What are the key properties of N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine?
N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine has a molecular weight of 248.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(5-phenyl-2H-triazol-4-yl)methanamine is sourced from PubChem (CID 82712292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).