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

C15H14ClN5 — CID 61376790

IUPAC5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
SMILESCCc1cccc(-n2nnnc2-c2ccc(Cl)cc2N)c1
InChIInChI=1S/C15H14ClN5/c1-2-10-4-3-5-12(8-10)21-15(18-19-20-21)13-7-6-11(16)9-14(13)17/h3-9H,2,17H2,1H3
InChIKeyLKQYDLUNUPRFJP-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.13
Rot. Bonds3

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

5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline (PubChem CID 61376790) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
PubChem CID61376790
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
SMILESCCc1cccc(-n2nnnc2-c2ccc(Cl)cc2N)c1
InChIInChI=1S/C15H14ClN5/c1-2-10-4-3-5-12(8-10)21-15(18-19-20-21)13-7-6-11(16)9-14(13)17/h3-9H,2,17H2,1H3
InChIKeyLKQYDLUNUPRFJP-UHFFFAOYSA-N
XLogP3.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.13
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-(3-chlorophenyl)tetrazol-5-yl]aniline
CID 61352846
3-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline
CID 63662915
5-chloro-2-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61377400
5-chloro-2-[1-(2-chloro-6-methylphenyl)tetrazol-5-yl]aniline
CID 66251426
5-chloro-2-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378359
2-[1-(3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 61353438
2-(1-butyltetrazol-5-yl)-5-chloroaniline
CID 61353252
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201
5-chloro-2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]aniline
CID 61376438
[4-[1-(3-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228168
5-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
CID 63463613
2-chloro-6-[1-(3-chloro-4-fluorophenyl)tetrazol-5-yl]aniline
CID 115547943

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline (CID 61376790) is 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline is CCc1cccc(-n2nnnc2-c2ccc(Cl)cc2N)c1.
What is the InChIKey of 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is LKQYDLUNUPRFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-2-10-4-3-5-12(8-10)21-15(18-19-20-21)13-7-6-11(16)9-14(13)17/h3-9H,2,17H2,1H3.
What are the key properties of 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline?
5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline has a molecular weight of 299.77 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(3-ethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61376790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).