1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide

C11H17IN6O — CID 119114637

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCn1cncn1)NCc1ccco1.I
InChIInChI=1S/C11H16N6O.HI/c1-12-11(15-7-10-3-2-6-18-10)14-4-5-17-9-13-8-16-17;/h2-3,6,8-9H,4-5,7H2,1H3,(H2,12,14,15);1H
InChIKeyQLBNEYVWLAJRPQ-UHFFFAOYSA-N
MW376.20 g/mol
LogP0.85
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide

1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 119114637) has the molecular formula C11H17IN6O and a molecular weight of 376.20 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
PubChem CID119114637
Molecular FormulaC11H17IN6O
Molecular Weight376.20 g/mol
Exact Mass376.05
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCn1cncn1)NCc1ccco1.I
InChIInChI=1S/C11H16N6O.HI/c1-12-11(15-7-10-3-2-6-18-10)14-4-5-17-9-13-8-16-17;/h2-3,6,8-9H,4-5,7H2,1H3,(H2,12,14,15);1H
InChIKeyQLBNEYVWLAJRPQ-UHFFFAOYSA-N
XLogP0.85
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 50.85
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide 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-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
CID 111975016
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111398488
2-methyl-1-propan-2-yl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119129783
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119163257
2-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine
CID 119117020
1-(furan-2-ylmethyl)-3-[2-(methanesulfonamido)ethyl]-2-methylguanidine;hydroiodide
CID 110934708
2-methyl-1-propyl-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111225738
1-(furan-2-ylmethyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465127
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 120662345
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 109394184
1-(furan-2-ylmethyl)-2-methyl-3-(pyridazin-3-ylmethyl)guanidine;hydroiodide
CID 120580517

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide (CID 119114637) is 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide is C/N=C(\NCCn1cncn1)NCc1ccco1.I.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is QLBNEYVWLAJRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O.HI/c1-12-11(15-7-10-3-2-6-18-10)14-4-5-17-9-13-8-16-17;/h2-3,6,8-9H,4-5,7H2,1H3,(H2,12,14,15);1H.
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide?
1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 376.20 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119114637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).