4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline

C15H14ClN5 — CID 61378928

IUPAC4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(C)c1-n1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C15H14ClN5/c1-9-4-3-5-10(2)14(9)21-15(18-19-20-21)12-8-11(17)6-7-13(12)16/h3-8H,17H2,1-2H3
InChIKeyZRZPVWODAKQFEF-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.18
Rot. Bonds2

About 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline

4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline (PubChem CID 61378928) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline
PubChem CID61378928
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline
SMILESCc1cccc(C)c1-n1nnnc1-c1cc(N)ccc1Cl
InChIInChI=1S/C15H14ClN5/c1-9-4-3-5-10(2)14(9)21-15(18-19-20-21)12-8-11(17)6-7-13(12)16/h3-8H,17H2,1-2H3
InChIKeyZRZPVWODAKQFEF-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline (CID 61378928) is 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline is Cc1cccc(C)c1-n1nnnc1-c1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline?
The InChIKey is ZRZPVWODAKQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-9-4-3-5-10(2)14(9)21-15(18-19-20-21)12-8-11(17)6-7-13(12)16/h3-8H,17H2,1-2H3.
What are the key properties of 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline?
4-chloro-3-[1-(2,6-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 4-chloro-3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61378928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).