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

C14H12ClN5 — CID 115936201

IUPAC2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cccc(N)c2Cl)c1
InChIInChI=1S/C14H12ClN5/c1-9-4-2-5-10(8-9)20-14(17-18-19-20)11-6-3-7-12(16)13(11)15/h2-8H,16H2,1H3
InChIKeyTYDJNEVSDVUVBQ-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.87
Rot. Bonds2

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

2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 115936201) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
PubChem CID115936201
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-n2nnnc2-c2cccc(N)c2Cl)c1
InChIInChI=1S/C14H12ClN5/c1-9-4-2-5-10(8-9)20-14(17-18-19-20)11-6-3-7-12(16)13(11)15/h2-8H,16H2,1H3
InChIKeyTYDJNEVSDVUVBQ-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

2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 115936198
2-chloro-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]aniline
CID 115936156
2-chloro-3-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115936231
2,3-dichloro-5-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376804
2-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 112580511
4-fluoro-2-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61376405
2-chloro-3-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 115936179
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352223
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 61352817
2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
CID 115936164
2-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline (CID 115936201) is 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline is Cc1cccc(-n2nnnc2-c2cccc(N)c2Cl)c1.
What is the InChIKey of 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is TYDJNEVSDVUVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-4-2-5-10(8-9)20-14(17-18-19-20)11-6-3-7-12(16)13(11)15/h2-8H,16H2,1H3.
What are the key properties of 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline?
2-chloro-3-[1-(3-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 2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115936201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).