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

C14H12ClN5 — CID 61378359

IUPAC5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccccc1-n1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C14H12ClN5/c1-9-4-2-3-5-13(9)20-14(17-18-19-20)11-7-6-10(15)8-12(11)16/h2-8H,16H2,1H3
InChIKeyVVEQONVKHYSJDK-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.87
Rot. Bonds2

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

5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61378359) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61378359
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccccc1-n1nnnc1-c1ccc(Cl)cc1N
InChIInChI=1S/C14H12ClN5/c1-9-4-2-3-5-13(9)20-14(17-18-19-20)11-7-6-10(15)8-12(11)16/h2-8H,16H2,1H3
InChIKeyVVEQONVKHYSJDK-UHFFFAOYSA-N
XLogP2.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
CID 66251426
5-chloro-2-[1-(3-chlorophenyl)tetrazol-5-yl]aniline
CID 61352846
2-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]aniline
CID 61353022
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
CID 61376790
5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61377400
4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61352885
4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61353402
2-[1-(2,4,5-trichlorophenyl)tetrazol-5-yl]aniline
CID 61351820
5-[1-(2-fluorophenyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706309
2-[1-(2-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65455841

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline (CID 61378359) is 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline is Cc1ccccc1-n1nnnc1-c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is VVEQONVKHYSJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-4-2-3-5-13(9)20-14(17-18-19-20)11-7-6-10(15)8-12(11)16/h2-8H,16H2,1H3.
What are the key properties of 5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline?
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 285.74 g/mol, XLogP of 2.87, 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-(2-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61378359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).