5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline

C13H9Cl2N5 — CID 61352846

IUPAC5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2N5/c14-8-2-1-3-10(6-8)20-13(17-18-19-20)11-5-4-9(15)7-12(11)16/h1-7H,16H2
InChIKeyDPKQVZZZKLAJPE-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.22
Rot. Bonds2

About 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline

5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline (PubChem CID 61352846) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
PubChem CID61352846
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
SMILESNc1cc(Cl)ccc1-c1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C13H9Cl2N5/c14-8-2-1-3-10(6-8)20-13(17-18-19-20)11-5-4-9(15)7-12(11)16/h1-7H,16H2
InChIKeyDPKQVZZZKLAJPE-UHFFFAOYSA-N
XLogP3.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline 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 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline (CID 61352846) is 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline is Nc1cc(Cl)ccc1-c1nnnn1-c1cccc(Cl)c1.
What is the InChIKey of 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline?
The InChIKey is DPKQVZZZKLAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-8-2-1-3-10(6-8)20-13(17-18-19-20)11-5-4-9(15)7-12(11)16/h1-7H,16H2.
What are the key properties of 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline?
5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline has a molecular weight of 306.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61352846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).