4,5-bis(iodomethyl)-2-phenyltriazole

C10H9I2N3 — CID 14947216

IUPAC4,5-bis(iodomethyl)-2-phenyltriazole
SMILESICc1nn(-c2ccccc2)nc1CI
InChIInChI=1S/C10H9I2N3/c11-6-9-10(7-12)14-15(13-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyONGQRSWHDDLMBY-UHFFFAOYSA-N
MW425.01 g/mol
LogP3.14
Rot. Bonds3

About 4,5-bis(iodomethyl)-2-phenyltriazole

4,5-bis(iodomethyl)-2-phenyltriazole (PubChem CID 14947216) has the molecular formula C10H9I2N3 and a molecular weight of 425.01 g/mol. Its IUPAC name is 4,5-bis(iodomethyl)-2-phenyltriazole.

Molecular Properties

Compound Name4,5-bis(iodomethyl)-2-phenyltriazole
PubChem CID14947216
Molecular FormulaC10H9I2N3
Molecular Weight425.01 g/mol
Exact Mass424.89
IUPAC Name4,5-bis(iodomethyl)-2-phenyltriazole
SMILESICc1nn(-c2ccccc2)nc1CI
InChIInChI=1S/C10H9I2N3/c11-6-9-10(7-12)14-15(13-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyONGQRSWHDDLMBY-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.01
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-ethyl-2-phenyltriazol-4-yl)methanol
CID 18002316
ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
[2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol
CID 71137338
2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide
CID 167768905
4,5-bis(2-bromophenyl)-2-phenyltriazole
CID 141418931
4-tert-butyl-5-methyl-2-phenyltriazole
CID 23529414
4-methyl-5-methylsulfanyl-2-phenyltriazole
CID 12815844
5-[4-(benzotriazol-2-yl)phenyl]-10-phenylphenazine
CID 118429547
N-(diaminomethylidene)-5-ethyl-2-phenyltriazole-4-carboxamide;hydrochloride
CID 22267793
2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
CID 2738923
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
(2,5-diphenyltriazol-4-yl)-phenylmethanone
CID 13297593

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(iodomethyl)-2-phenyltriazole?
The IUPAC name of 4,5-bis(iodomethyl)-2-phenyltriazole (CID 14947216) is 4,5-bis(iodomethyl)-2-phenyltriazole.
What is the SMILES notation for 4,5-bis(iodomethyl)-2-phenyltriazole?
The canonical SMILES for 4,5-bis(iodomethyl)-2-phenyltriazole is ICc1nn(-c2ccccc2)nc1CI.
What is the InChIKey of 4,5-bis(iodomethyl)-2-phenyltriazole?
The InChIKey is ONGQRSWHDDLMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9I2N3/c11-6-9-10(7-12)14-15(13-9)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4,5-bis(iodomethyl)-2-phenyltriazole?
4,5-bis(iodomethyl)-2-phenyltriazole has a molecular weight of 425.01 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(iodomethyl)-2-phenyltriazole is sourced from PubChem (CID 14947216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).