N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine

C11H14N4O — CID 2193446

IUPACN-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCCOc1ccccc1CNn1cnnc1
InChIInChI=1S/C11H14N4O/c1-2-16-11-6-4-3-5-10(11)7-14-15-8-12-13-9-15/h3-6,8-9,14H,2,7H2,1H3
InChIKeyURKJCMBTMMYGNH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.42
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine

N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine (PubChem CID 2193446) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
PubChem CID2193446
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCCOc1ccccc1CNn1cnnc1
InChIInChI=1S/C11H14N4O/c1-2-16-11-6-4-3-5-10(11)7-14-15-8-12-13-9-15/h3-6,8-9,14H,2,7H2,1H3
InChIKeyURKJCMBTMMYGNH-UHFFFAOYSA-N
XLogP1.42
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-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-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine (CID 2193446) is N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine is CCOc1ccccc1CNn1cnnc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The InChIKey is URKJCMBTMMYGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-16-11-6-4-3-5-10(11)7-14-15-8-12-13-9-15/h3-6,8-9,14H,2,7H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine has a molecular weight of 218.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 2193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).