3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine

C11H12ClN5O — CID 69460917

IUPAC3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine
SMILESClc1cccc(-n2nnc(C3COCCN3)n2)c1
InChIInChI=1S/C11H12ClN5O/c12-8-2-1-3-9(6-8)17-15-11(14-16-17)10-7-18-5-4-13-10/h1-3,6,10,13H,4-5,7H2
InChIKeyHWVXHDLWLMYSGR-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.98
Rot. Bonds2

About 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine

3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine (PubChem CID 69460917) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine
PubChem CID69460917
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine
SMILESClc1cccc(-n2nnc(C3COCCN3)n2)c1
InChIInChI=1S/C11H12ClN5O/c12-8-2-1-3-9(6-8)17-15-11(14-16-17)10-7-18-5-4-13-10/h1-3,6,10,13H,4-5,7H2
InChIKeyHWVXHDLWLMYSGR-UHFFFAOYSA-N
XLogP0.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine?
The IUPAC name of 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine (CID 69460917) is 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine.
What is the SMILES notation for 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine?
The canonical SMILES for 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine is Clc1cccc(-n2nnc(C3COCCN3)n2)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine?
The InChIKey is HWVXHDLWLMYSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c12-8-2-1-3-9(6-8)17-15-11(14-16-17)10-7-18-5-4-13-10/h1-3,6,10,13H,4-5,7H2.
What are the key properties of 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine?
3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine has a molecular weight of 265.70 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)tetrazol-5-yl]morpholine is sourced from PubChem (CID 69460917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).