2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline

C15H14ClN5 — CID 61378528

IUPAC2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C15H14ClN5/c1-9-3-6-14(10(2)7-9)21-15(18-19-20-21)11-4-5-12(16)13(17)8-11/h3-8H,17H2,1-2H3
InChIKeyGYTYVGJFHFHKGG-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.18
Rot. Bonds2

About 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline

2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline (PubChem CID 61378528) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
PubChem CID61378528
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(-n2nnnc2-c2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C15H14ClN5/c1-9-3-6-14(10(2)7-9)21-15(18-19-20-21)11-4-5-12(16)13(17)8-11/h3-8H,17H2,1-2H3
InChIKeyGYTYVGJFHFHKGG-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'}

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Related Compounds

2-bromo-5-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61353068
2-bromo-5-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]aniline
CID 61353674
5-[1-(2-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107531057
2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
CID 107638746
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376804
2-bromo-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376028
2-chloro-4-[1-(5-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779925
4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61352885
2-[1-(2,4-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65455837
2-chloro-4-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 82779532
3-chloro-4-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351658

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline (CID 61378528) is 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline is Cc1ccc(-n2nnnc2-c2ccc(Cl)c(N)c2)c(C)c1.
What is the InChIKey of 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is GYTYVGJFHFHKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-3-6-14(10(2)7-9)21-15(18-19-20-21)11-4-5-12(16)13(17)8-11/h3-8H,17H2,1-2H3.
What are the key properties of 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline?
2-chloro-5-[1-(2,4-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 2-chloro-5-[1-(2,4-dimethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61378528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).