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

C14H13N5O — CID 61353799

IUPAC4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
SMILESCOc1ccccc1-n1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C14H13N5O/c1-20-13-5-3-2-4-12(13)19-14(16-17-18-19)10-6-8-11(15)9-7-10/h2-9H,15H2,1H3
InChIKeyBNGXMXFGGBAFRT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.92
Rot. Bonds3

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

4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline (PubChem CID 61353799) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
PubChem CID61353799
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
SMILESCOc1ccccc1-n1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C14H13N5O/c1-20-13-5-3-2-4-12(13)19-14(16-17-18-19)10-6-8-11(15)9-7-10/h2-9H,15H2,1H3
InChIKeyBNGXMXFGGBAFRT-UHFFFAOYSA-N
XLogP1.92
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61353402
3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61352660
4-fluoro-2-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61351479
4-[1-(4-methoxyphenyl)tetrazol-5-yl]aniline
CID 61353201
3-methoxy-5-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 81093682
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
4,5-dimethyl-2-(5-phenyltetrazol-1-yl)aniline
CID 62098270
4-[1-(3,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61352610
4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
CID 61354005
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
4-[1-(2-bromo-4-fluorophenyl)tetrazol-5-yl]aniline
CID 61353601
4-[1-(2,5-dibromophenyl)tetrazol-5-yl]aniline
CID 61470384

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline (CID 61353799) is 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline is COc1ccccc1-n1nnnc1-c1ccc(N)cc1.
What is the InChIKey of 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
The InChIKey is BNGXMXFGGBAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-13-5-3-2-4-12(13)19-14(16-17-18-19)10-6-8-11(15)9-7-10/h2-9H,15H2,1H3.
What are the key properties of 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline?
4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline has a molecular weight of 267.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61353799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).