N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine

C11H11BrIN5 — CID 114262381

IUPACN-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESBrc1cc(-n2nnnc2CNC2CC2)ccc1I
InChIInChI=1S/C11H11BrIN5/c12-9-5-8(3-4-10(9)13)18-11(15-16-17-18)6-14-7-1-2-7/h3-5,7,14H,1-2,6H2
InChIKeyGZZAOSSJQFGVBO-UHFFFAOYSA-N
MW420.05 g/mol
LogP2.28
Rot. Bonds4

About N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 114262381) has the molecular formula C11H11BrIN5 and a molecular weight of 420.05 g/mol. Its IUPAC name is N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID114262381
Molecular FormulaC11H11BrIN5
Molecular Weight420.05 g/mol
Exact Mass418.92
IUPAC NameN-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESBrc1cc(-n2nnnc2CNC2CC2)ccc1I
InChIInChI=1S/C11H11BrIN5/c12-9-5-8(3-4-10(9)13)18-11(15-16-17-18)6-14-7-1-2-7/h3-5,7,14H,1-2,6H2
InChIKeyGZZAOSSJQFGVBO-UHFFFAOYSA-N
XLogP2.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.05
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 107617080
N-[(1-naphthalen-2-yltetrazol-5-yl)methyl]cyclopropanamine
CID 62762601
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79771892
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
N-[[1-(2-chloro-5-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 114261277
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
N-[[1-(2,4-dichlorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737390
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104725249
N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882
N-[[1-(2,4-difluorophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737963
N-[[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62737024

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 114262381) is N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine is Brc1cc(-n2nnnc2CNC2CC2)ccc1I.
What is the InChIKey of N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is GZZAOSSJQFGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrIN5/c12-9-5-8(3-4-10(9)13)18-11(15-16-17-18)6-14-7-1-2-7/h3-5,7,14H,1-2,6H2.
What are the key properties of N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 420.05 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromo-4-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114262381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).