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

C15H14ClN5 — CID 115936198

IUPAC2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(C)cc(-n2nnnc2-c2cccc(N)c2Cl)c1
InChIInChI=1S/C15H14ClN5/c1-9-6-10(2)8-11(7-9)21-15(18-19-20-21)12-4-3-5-13(17)14(12)16/h3-8H,17H2,1-2H3
InChIKeyRQCURYXESJRKFC-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.18
Rot. Bonds2

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

2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline (PubChem CID 115936198) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
PubChem CID115936198
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cc(C)cc(-n2nnnc2-c2cccc(N)c2Cl)c1
InChIInChI=1S/C15H14ClN5/c1-9-6-10(2)8-11(7-9)21-15(18-19-20-21)12-4-3-5-13(17)14(12)16/h3-8H,17H2,1-2H3
InChIKeyRQCURYXESJRKFC-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-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352223
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-chloro-3-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 112580511
2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]-3-methylaniline
CID 61376996
2-chloro-3-[1-(4-fluoro-2-methylphenyl)tetrazol-5-yl]aniline
CID 115936179
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
2-chloro-3-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 102807107
2-chloro-3-[1-(2,5-difluorophenyl)tetrazol-5-yl]aniline
CID 115936164
4-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352610
3-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107616314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline (CID 115936198) is 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline is Cc1cc(C)cc(-n2nnnc2-c2cccc(N)c2Cl)c1.
What is the InChIKey of 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is RQCURYXESJRKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-6-10(2)8-11(7-9)21-15(18-19-20-21)12-4-3-5-13(17)14(12)16/h3-8H,17H2,1-2H3.
What are the key properties of 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline?
2-chloro-3-[1-(3,5-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 2-chloro-3-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 115936198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).