2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine

C17H33N7O — CID 111491824

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine
SMILESCCc1nncn1CCN/C(=N/CC1CCCN1CC)NCCOC
InChIInChI=1S/C17H33N7O/c1-4-16-22-21-14-24(16)11-8-18-17(19-9-12-25-3)20-13-15-7-6-10-23(15)5-2/h14-15H,4-13H2,1-3H3,(H2,18,19,20)
InChIKeyHDDQITLCEUOXGT-UHFFFAOYSA-N
MW351.50 g/mol
LogP0.51
Rot. Bonds10

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine (PubChem CID 111491824) has the molecular formula C17H33N7O and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine
PubChem CID111491824
Molecular FormulaC17H33N7O
Molecular Weight351.50 g/mol
Exact Mass351.27
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine
SMILESCCc1nncn1CCN/C(=N/CC1CCCN1CC)NCCOC
InChIInChI=1S/C17H33N7O/c1-4-16-22-21-14-24(16)11-8-18-17(19-9-12-25-3)20-13-15-7-6-10-23(15)5-2/h14-15H,4-13H2,1-3H3,(H2,18,19,20)
InChIKeyHDDQITLCEUOXGT-UHFFFAOYSA-N
XLogP0.51
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)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-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111513650
2-[(1-butylpiperidin-2-yl)methyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111700472
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494143
1-ethyl-3-(2-methoxyethyl)-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]guanidine
CID 110941788
tert-butyl 2-[[[ethylamino-[2-(3-ethyl-1,2,4-triazol-4-yl)ethylamino]methylidene]amino]methyl]piperidine-1-carboxylate
CID 111700485
1-ethyl-2-[(4-ethylcyclohexyl)methyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111699061
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(3-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 111494748
1-(3-cyclohexyloxypropyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111519102
1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methylcyclohexyl)methyl]guanidine
CID 111700513
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111262057
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111260535
1-ethyl-2-[(1-ethylpiperidin-2-yl)methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 111759112

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine (CID 111491824) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine is CCc1nncn1CCN/C(=N/CC1CCCN1CC)NCCOC.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is HDDQITLCEUOXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N7O/c1-4-16-22-21-14-24(16)11-8-18-17(19-9-12-25-3)20-13-15-7-6-10-23(15)5-2/h14-15H,4-13H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 351.50 g/mol, XLogP of 0.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111491824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).