5-cyclopropyl-1-(2-iodophenyl)tetrazole

C10H9IN4 — CID 62075844

IUPAC5-cyclopropyl-1-(2-iodophenyl)tetrazole
SMILESIc1ccccc1-n1nnnc1C1CC1
InChIInChI=1S/C10H9IN4/c11-8-3-1-2-4-9(8)15-10(7-5-6-7)12-13-14-15/h1-4,7H,5-6H2
InChIKeyHLFZRRIXPZKISD-UHFFFAOYSA-N
MW312.11 g/mol
LogP2.14
Rot. Bonds2

About 5-cyclopropyl-1-(2-iodophenyl)tetrazole

5-cyclopropyl-1-(2-iodophenyl)tetrazole (PubChem CID 62075844) has the molecular formula C10H9IN4 and a molecular weight of 312.11 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-iodophenyl)tetrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-iodophenyl)tetrazole
PubChem CID62075844
Molecular FormulaC10H9IN4
Molecular Weight312.11 g/mol
Exact Mass311.99
IUPAC Name5-cyclopropyl-1-(2-iodophenyl)tetrazole
SMILESIc1ccccc1-n1nnnc1C1CC1
InChIInChI=1S/C10H9IN4/c11-8-3-1-2-4-9(8)15-10(7-5-6-7)12-13-14-15/h1-4,7H,5-6H2
InChIKeyHLFZRRIXPZKISD-UHFFFAOYSA-N
XLogP2.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 52.14
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

5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole
CID 79766240
4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline
CID 62077006
5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine
CID 118180428
5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline
CID 62076355
5-cyclopentyl-1-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 51091387
4-chloro-2-(5-cyclohexyltetrazol-1-yl)aniline
CID 62076027
5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile
CID 62077370
N,N-dimethyl-4-(1-phenyltetrazol-5-yl)piperidine-1-sulfonamide
CID 23607692
(E)-3-[4-(5-cyclopropyltetrazol-1-yl)phenyl]prop-2-enoic acid
CID 113290743
5-chloro-2-(5-cyclopentyltetrazol-1-yl)benzoic acid
CID 62075212
4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline
CID 55034010
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-iodophenyl)tetrazole?
The IUPAC name of 5-cyclopropyl-1-(2-iodophenyl)tetrazole (CID 62075844) is 5-cyclopropyl-1-(2-iodophenyl)tetrazole.
What is the SMILES notation for 5-cyclopropyl-1-(2-iodophenyl)tetrazole?
The canonical SMILES for 5-cyclopropyl-1-(2-iodophenyl)tetrazole is Ic1ccccc1-n1nnnc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-iodophenyl)tetrazole?
The InChIKey is HLFZRRIXPZKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN4/c11-8-3-1-2-4-9(8)15-10(7-5-6-7)12-13-14-15/h1-4,7H,5-6H2.
What are the key properties of 5-cyclopropyl-1-(2-iodophenyl)tetrazole?
5-cyclopropyl-1-(2-iodophenyl)tetrazole has a molecular weight of 312.11 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-iodophenyl)tetrazole is sourced from PubChem (CID 62075844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).