2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine

C14H20N6O — CID 111822220

IUPAC2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCCc1nncn1CC/N=C(\N)Nc1ccccc1OC
InChIInChI=1S/C14H20N6O/c1-3-13-19-17-10-20(13)9-8-16-14(15)18-11-6-4-5-7-12(11)21-2/h4-7,10H,3,8-9H2,1-2H3,(H3,15,16,18)
InChIKeyDBQOZGAKYSLKER-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.28
Rot. Bonds6

About 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine

2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111822220) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111822220
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCCc1nncn1CC/N=C(\N)Nc1ccccc1OC
InChIInChI=1S/C14H20N6O/c1-3-13-19-17-10-20(13)9-8-16-14(15)18-11-6-4-5-7-12(11)21-2/h4-7,10H,3,8-9H2,1-2H3,(H3,15,16,18)
InChIKeyDBQOZGAKYSLKER-UHFFFAOYSA-N
XLogP1.28
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(3-ethylphenyl)-2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111822170
1-(2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111065973
1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111817888
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389
1-(2-methoxyphenyl)-2-[2-(2-nitroanilino)ethyl]guanidine
CID 111034253
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111088824
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111061989
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine (CID 111822220) is 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine is CCc1nncn1CC/N=C(\N)Nc1ccccc1OC.
What is the InChIKey of 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is DBQOZGAKYSLKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-13-19-17-10-20(13)9-8-16-14(15)18-11-6-4-5-7-12(11)21-2/h4-7,10H,3,8-9H2,1-2H3,(H3,15,16,18).
What are the key properties of 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 288.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111822220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).