3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline

C14H12ClN5O — CID 61352660

IUPAC3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
SMILESCOc1ccccc1-n1nnnc1-c1ccc(N)cc1Cl
InChIInChI=1S/C14H12ClN5O/c1-21-13-5-3-2-4-12(13)20-14(17-18-19-20)10-7-6-9(16)8-11(10)15/h2-8H,16H2,1H3
InChIKeyIIZBLXIDNVRHDE-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.57
Rot. Bonds3

About 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline

3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline (PubChem CID 61352660) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
PubChem CID61352660
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
SMILESCOc1ccccc1-n1nnnc1-c1ccc(N)cc1Cl
InChIInChI=1S/C14H12ClN5O/c1-21-13-5-3-2-4-12(13)20-14(17-18-19-20)10-7-6-9(16)8-11(10)15/h2-8H,16H2,1H3
InChIKeyIIZBLXIDNVRHDE-UHFFFAOYSA-N
XLogP2.57
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353799
4-fluoro-2-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61351479
3-chloro-4-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351658
3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
CID 61378766
4-[1-(2-bromo-3-chlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 103481274
3-chloro-4-[1-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 107464532
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415
4-(1-tert-butyltetrazol-5-yl)-3-chloroaniline
CID 61351469
3-chloro-4-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
CID 65038854
4-[1-(4-bromo-3-chlorophenyl)tetrazol-5-yl]-3-chloroaniline
CID 107616302
3-chloro-4-(1-thiophen-3-yltetrazol-5-yl)aniline
CID 66353709
3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline (CID 61352660) is 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline is COc1ccccc1-n1nnnc1-c1ccc(N)cc1Cl.
What is the InChIKey of 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
The InChIKey is IIZBLXIDNVRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-21-13-5-3-2-4-12(13)20-14(17-18-19-20)10-7-6-9(16)8-11(10)15/h2-8H,16H2,1H3.
What are the key properties of 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline has a molecular weight of 301.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61352660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).