2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline

C14H19N5O — CID 61376382

IUPAC2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CCCCC2)c1
InChIInChI=1S/C14H19N5O/c1-20-11-7-8-13(15)12(9-11)14-16-17-18-19(14)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeyVUSFKAUJGBUOPS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds3

About 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline

2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline (PubChem CID 61376382) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
PubChem CID61376382
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CCCCC2)c1
InChIInChI=1S/C14H19N5O/c1-20-11-7-8-13(15)12(9-11)14-16-17-18-19(14)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeyVUSFKAUJGBUOPS-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline (CID 61376382) is 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline is COc1ccc(N)c(-c2nnnn2C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline?
The InChIKey is VUSFKAUJGBUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-11-7-8-13(15)12(9-11)14-16-17-18-19(14)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3.
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline?
2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline has a molecular weight of 273.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline is sourced from PubChem (CID 61376382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).