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

C15H14ClN5 — CID 63661482

IUPAC3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(C)c(-n2nnnc2-c2c(N)cccc2Cl)c1
InChIInChI=1S/C15H14ClN5/c1-9-6-7-10(2)13(8-9)21-15(18-19-20-21)14-11(16)4-3-5-12(14)17/h3-8H,17H2,1-2H3
InChIKeyYKIVXQKNNXQRPN-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.18
Rot. Bonds2

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

3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline (PubChem CID 63661482) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
PubChem CID63661482
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(C)c(-n2nnnc2-c2c(N)cccc2Cl)c1
InChIInChI=1S/C15H14ClN5/c1-9-6-7-10(2)13(8-9)21-15(18-19-20-21)14-11(16)4-3-5-12(14)17/h3-8H,17H2,1-2H3
InChIKeyYKIVXQKNNXQRPN-UHFFFAOYSA-N
XLogP3.18
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-2-[1-(2,5-dimethylphenyl)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 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline (CID 63661482) is 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline is Cc1ccc(C)c(-n2nnnc2-c2c(N)cccc2Cl)c1.
What is the InChIKey of 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is YKIVXQKNNXQRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-6-7-10(2)13(8-9)21-15(18-19-20-21)14-11(16)4-3-5-12(14)17/h3-8H,17H2,1-2H3.
What are the key properties of 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline?
3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline has a molecular weight of 299.77 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 63661482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).