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

C14H19N5O — CID 62075867

IUPAC2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline
SMILESCOc1ccc(-n2nnnc2C2CCCCC2)c(N)c1
InChIInChI=1S/C14H19N5O/c1-20-11-7-8-13(12(15)9-11)19-14(16-17-18-19)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeySIPYTZDROFKCMC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.30
Rot. Bonds3

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

2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline (PubChem CID 62075867) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline
PubChem CID62075867
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline
SMILESCOc1ccc(-n2nnnc2C2CCCCC2)c(N)c1
InChIInChI=1S/C14H19N5O/c1-20-11-7-8-13(12(15)9-11)19-14(16-17-18-19)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3
InChIKeySIPYTZDROFKCMC-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline?
The IUPAC name of 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline (CID 62075867) is 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline.
What is the SMILES notation for 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline?
The canonical SMILES for 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline is COc1ccc(-n2nnnc2C2CCCCC2)c(N)c1.
What is the InChIKey of 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline?
The InChIKey is SIPYTZDROFKCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-11-7-8-13(12(15)9-11)19-14(16-17-18-19)10-5-3-2-4-6-10/h7-10H,2-6,15H2,1H3.
What are the key properties of 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline?
2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline has a molecular weight of 273.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline is sourced from PubChem (CID 62075867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).