N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine

C7H5ClIN5 — CID 164652714

IUPACN-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine
SMILESClc1ccc(I)cc1Nc1nn[nH]n1
InChIInChI=1S/C7H5ClIN5/c8-5-2-1-4(9)3-6(5)10-7-11-13-14-12-7/h1-3H,(H2,10,11,12,13,14)
InChIKeyDTZCFYDQJVHMHP-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.20
Rot. Bonds2

About N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine

N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine (PubChem CID 164652714) has the molecular formula C7H5ClIN5 and a molecular weight of 321.51 g/mol. Its IUPAC name is N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine
PubChem CID164652714
Molecular FormulaC7H5ClIN5
Molecular Weight321.51 g/mol
Exact Mass320.93
IUPAC NameN-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine
SMILESClc1ccc(I)cc1Nc1nn[nH]n1
InChIInChI=1S/C7H5ClIN5/c8-5-2-1-4(9)3-6(5)10-7-11-13-14-12-7/h1-3H,(H2,10,11,12,13,14)
InChIKeyDTZCFYDQJVHMHP-UHFFFAOYSA-N
XLogP2.20
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine?
The IUPAC name of N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine (CID 164652714) is N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine is Clc1ccc(I)cc1Nc1nn[nH]n1.
What is the InChIKey of N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine?
The InChIKey is DTZCFYDQJVHMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClIN5/c8-5-2-1-4(9)3-6(5)10-7-11-13-14-12-7/h1-3H,(H2,10,11,12,13,14).
What are the key properties of N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine?
N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine has a molecular weight of 321.51 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-iodophenyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 164652714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).