2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol

C14H20N4O2 — CID 63329108

IUPAC2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
SMILESCCOc1cccc(CNCCc2nncn2C)c1O
InChIInChI=1S/C14H20N4O2/c1-3-20-12-6-4-5-11(14(12)19)9-15-8-7-13-17-16-10-18(13)2/h4-6,10,15,19H,3,7-9H2,1-2H3
InChIKeyRDLIZNMJDIGCKH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.25
Rot. Bonds7

About 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol

2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol (PubChem CID 63329108) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
PubChem CID63329108
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
SMILESCCOc1cccc(CNCCc2nncn2C)c1O
InChIInChI=1S/C14H20N4O2/c1-3-20-12-6-4-5-11(14(12)19)9-15-8-7-13-17-16-10-18(13)2/h4-6,10,15,19H,3,7-9H2,1-2H3
InChIKeyRDLIZNMJDIGCKH-UHFFFAOYSA-N
XLogP1.25
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol 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 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol (CID 63329108) is 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol is CCOc1cccc(CNCCc2nncn2C)c1O.
What is the InChIKey of 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol?
The InChIKey is RDLIZNMJDIGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-20-12-6-4-5-11(14(12)19)9-15-8-7-13-17-16-10-18(13)2/h4-6,10,15,19H,3,7-9H2,1-2H3.
What are the key properties of 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol?
2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol has a molecular weight of 276.34 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 63329108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).