5-iodo-1-phenyltetrazole

C7H5IN4 — CID 914502

IUPAC5-iodo-1-phenyltetrazole
SMILESIc1nnnn1-c1ccccc1
InChIInChI=1S/C7H5IN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKeySJIXMBBQRZPUMK-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.27
Rot. Bonds1

About 5-iodo-1-phenyltetrazole

5-iodo-1-phenyltetrazole (PubChem CID 914502) has the molecular formula C7H5IN4 and a molecular weight of 272.05 g/mol. Its IUPAC name is 5-iodo-1-phenyltetrazole.

Molecular Properties

Compound Name5-iodo-1-phenyltetrazole
PubChem CID914502
Molecular FormulaC7H5IN4
Molecular Weight272.05 g/mol
Exact Mass271.96
IUPAC Name5-iodo-1-phenyltetrazole
SMILESIc1nnnn1-c1ccccc1
InChIInChI=1S/C7H5IN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
InChIKeySJIXMBBQRZPUMK-UHFFFAOYSA-N
XLogP1.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fenamole
CID 21640
1-phenyl-1H-1,2,4-triazole
CID 83432
4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 571640
1H-Tetrazole, 5-chloro-1-phenyl-
CID 84262
1-Phenyl-1H-tetrazole
CID 138477
5-Methyl-1-phenyl-1H-tetrazole
CID 95204
N-methyl-1-phenyl-1H-1,2,3,4-tetrazol-5-amine
CID 285158
5-bromo-1-phenyl-1H-1,2,3,4-tetrazole
CID 292542
3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 863007
Sodium 1-phenyl-1H-tetrazole-5-thiolate
CID 2735174
Stk291648
CID 4424052
1-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 98510

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-phenyltetrazole?
The IUPAC name of 5-iodo-1-phenyltetrazole (CID 914502) is 5-iodo-1-phenyltetrazole.
What is the SMILES notation for 5-iodo-1-phenyltetrazole?
The canonical SMILES for 5-iodo-1-phenyltetrazole is Ic1nnnn1-c1ccccc1.
What is the InChIKey of 5-iodo-1-phenyltetrazole?
The InChIKey is SJIXMBBQRZPUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-iodo-1-phenyltetrazole?
5-iodo-1-phenyltetrazole has a molecular weight of 272.05 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-phenyltetrazole is sourced from PubChem (CID 914502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).