4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline

C14H19N5O — CID 63281557

IUPAC4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)cc1-c1nnnn1C1CCCC1C
InChIInChI=1S/C14H19N5O/c1-9-4-3-5-12(9)19-14(16-17-18-19)11-8-10(15)6-7-13(11)20-2/h6-9,12H,3-5,15H2,1-2H3
InChIKeyLIUNFJJDSOTAMB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.29
Rot. Bonds3

About 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline

4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline (PubChem CID 63281557) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline
PubChem CID63281557
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline
SMILESCOc1ccc(N)cc1-c1nnnn1C1CCCC1C
InChIInChI=1S/C14H19N5O/c1-9-4-3-5-12(9)19-14(16-17-18-19)11-8-10(15)6-7-13(11)20-2/h6-9,12H,3-5,15H2,1-2H3
InChIKeyLIUNFJJDSOTAMB-UHFFFAOYSA-N
XLogP2.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline (CID 63281557) is 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline is COc1ccc(N)cc1-c1nnnn1C1CCCC1C.
What is the InChIKey of 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline?
The InChIKey is LIUNFJJDSOTAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-4-3-5-12(9)19-14(16-17-18-19)11-8-10(15)6-7-13(11)20-2/h6-9,12H,3-5,15H2,1-2H3.
What are the key properties of 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline?
4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline has a molecular weight of 273.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(2-methylcyclopentyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 63281557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).