1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide

C12H17IN6O — CID 111427037

IUPAC1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCc1nc(-c2ccco2)n[nH]1)NC1CC1
InChIInChI=1S/C12H16N6O.HI/c13-12(15-8-3-4-8)14-6-5-10-16-11(18-17-10)9-2-1-7-19-9;/h1-2,7-8H,3-6H2,(H3,13,14,15)(H,16,17,18);1H
InChIKeyHNBJHCDGPGHXEE-UHFFFAOYSA-N
MW388.21 g/mol
LogP1.29
Rot. Bonds5

About 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide

1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide (PubChem CID 111427037) has the molecular formula C12H17IN6O and a molecular weight of 388.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide
PubChem CID111427037
Molecular FormulaC12H17IN6O
Molecular Weight388.21 g/mol
Exact Mass388.05
IUPAC Name1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCc1nc(-c2ccco2)n[nH]1)NC1CC1
InChIInChI=1S/C12H16N6O.HI/c13-12(15-8-3-4-8)14-6-5-10-16-11(18-17-10)9-2-1-7-19-9;/h1-2,7-8H,3-6H2,(H3,13,14,15)(H,16,17,18);1H
InChIKeyHNBJHCDGPGHXEE-UHFFFAOYSA-N
XLogP1.29
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-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

2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111805537
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111837086
1-(3-chloro-4-methoxyphenyl)-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide
CID 111805581
1-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111760284
1-ethyl-2-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111834526
N-ethyl-N'-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379084
2-chloro-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]acetamide
CID 166403893
N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]adamantane-2-carboxamide
CID 75364800
5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine
CID 111762939
1-cyclopentyl-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 119164271
1-(3-ethylsulfinylcyclohexyl)-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-methylguanidine;hydroiodide
CID 109440566

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide (CID 111427037) is 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide is I.N/C(=N\CCc1nc(-c2ccco2)n[nH]1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide?
The InChIKey is HNBJHCDGPGHXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O.HI/c13-12(15-8-3-4-8)14-6-5-10-16-11(18-17-10)9-2-1-7-19-9;/h1-2,7-8H,3-6H2,(H3,13,14,15)(H,16,17,18);1H.
What are the key properties of 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide?
1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide has a molecular weight of 388.21 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111427037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).