1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine

C9H10IN5 — CID 62737573

IUPAC1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C9H10IN5/c1-11-6-9-12-13-14-15(9)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyCIWWDLQMOOUFQS-UHFFFAOYSA-N
MW315.12 g/mol
LogP0.99
Rot. Bonds3

About 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine

1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine (PubChem CID 62737573) has the molecular formula C9H10IN5 and a molecular weight of 315.12 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
PubChem CID62737573
Molecular FormulaC9H10IN5
Molecular Weight315.12 g/mol
Exact Mass315.00
IUPAC Name1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
SMILESCNCc1nnnn1-c1ccc(I)cc1
InChIInChI=1S/C9H10IN5/c1-11-6-9-12-13-14-15(9)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyCIWWDLQMOOUFQS-UHFFFAOYSA-N
XLogP0.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 50.99
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-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
1-(4-iodophenyl)-5-propyltetrazole
CID 62081335
N-[[1-(4-iodophenyl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 55109241
N-methyl-1-(1-naphthalen-2-yltetrazol-5-yl)methanamine
CID 55108826
1-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736102
1-[1-(4-ethoxy-3-fluorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 113399822
1-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737014
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 55109003
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine (CID 62737573) is 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine is CNCc1nnnn1-c1ccc(I)cc1.
What is the InChIKey of 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine?
The InChIKey is CIWWDLQMOOUFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN5/c1-11-6-9-12-13-14-15(9)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3.
What are the key properties of 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine?
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine has a molecular weight of 315.12 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62737573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).