2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine

C19H26F2N6 — CID 119159082

IUPAC2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
SMILESCCN/C(=N\CC(C)c1ccc(F)cc1F)NC1CCCn2nc(C)nc21
InChIInChI=1S/C19H26F2N6/c1-4-22-19(23-11-12(2)15-8-7-14(20)10-16(15)21)25-17-6-5-9-27-18(17)24-13(3)26-27/h7-8,10,12,17H,4-6,9,11H2,1-3H3,(H2,22,23,25)
InChIKeyYLNUOJHHRZIERR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.06
Rot. Bonds5

About 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine

2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine (PubChem CID 119159082) has the molecular formula C19H26F2N6 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine.

Molecular Properties

Compound Name2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
PubChem CID119159082
Molecular FormulaC19H26F2N6
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
SMILESCCN/C(=N\CC(C)c1ccc(F)cc1F)NC1CCCn2nc(C)nc21
InChIInChI=1S/C19H26F2N6/c1-4-22-19(23-11-12(2)15-8-7-14(20)10-16(15)21)25-17-6-5-9-27-18(17)24-13(3)26-27/h7-8,10,12,17H,4-6,9,11H2,1-3H3,(H2,22,23,25)
InChIKeyYLNUOJHHRZIERR-UHFFFAOYSA-N
XLogP3.06
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)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-ethyl-2-[(5-fluoro-2-methylsulfanylphenyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine;hydroiodide
CID 119157507
1-cyclopropyl-2-[2-(2,4-difluorophenyl)propyl]-3-ethylguanidine;hydroiodide
CID 111759446
2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979564
2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
CID 111978786
1-(4-fluoro-2-methylphenyl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 136513308
2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111768714
1-cyclohexyl-2-[2-(2,4-difluorophenyl)propyl]guanidine
CID 111807518
1-[2-(2,4-difluorophenyl)propyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111760372
3-[(4-fluorophenyl)methyl]-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
CID 136513343
N,N-dimethyl-2-[[N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 110043312
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine
CID 110057300
2-[[(2-ethylhexylamino)-[(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine?
The IUPAC name of 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine (CID 119159082) is 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine.
What is the SMILES notation for 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine?
The canonical SMILES for 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine is CCN/C(=N\CC(C)c1ccc(F)cc1F)NC1CCCn2nc(C)nc21.
What is the InChIKey of 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine?
The InChIKey is YLNUOJHHRZIERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N6/c1-4-22-19(23-11-12(2)15-8-7-14(20)10-16(15)21)25-17-6-5-9-27-18(17)24-13(3)26-27/h7-8,10,12,17H,4-6,9,11H2,1-3H3,(H2,22,23,25).
What are the key properties of 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine?
2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine has a molecular weight of 376.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-difluorophenyl)propyl]-1-ethyl-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)guanidine is sourced from PubChem (CID 119159082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).