1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole

C9H7FIN3 — CID 79784814

IUPAC1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
SMILESFc1cccc(Cn2cnc(I)n2)c1
InChIInChI=1S/C9H7FIN3/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2
InChIKeyYFJWHCSDEFTRBG-UHFFFAOYSA-N
MW303.08 g/mol
LogP2.07
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole

1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole (PubChem CID 79784814) has the molecular formula C9H7FIN3 and a molecular weight of 303.08 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
PubChem CID79784814
Molecular FormulaC9H7FIN3
Molecular Weight303.08 g/mol
Exact Mass302.97
IUPAC Name1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
SMILESFc1cccc(Cn2cnc(I)n2)c1
InChIInChI=1S/C9H7FIN3/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2
InChIKeyYFJWHCSDEFTRBG-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.08
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole 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-[(3,5-difluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 105411294
1-[(3,4-difluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 82935002
1-[(2-bromo-4-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 79784813
1-ethyl-3-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea
CID 17282112
2,4-difluoro-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772240
1-[(3-fluorophenyl)methyl]triazole
CID 12811470
4-ethyl-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772226
3-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-one
CID 95921531
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
4-ethoxy-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772225
3,5-bis(4-fluorophenyl)-1-[(3-fluorophenyl)methyl]pyrazole
CID 19587106
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole (CID 79784814) is 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole is Fc1cccc(Cn2cnc(I)n2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
The InChIKey is YFJWHCSDEFTRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FIN3/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole?
1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole has a molecular weight of 303.08 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole is sourced from PubChem (CID 79784814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).