4-[(1-benzyltetrazol-5-yl)methyl]morpholine

C13H17N5O — CID 1438531

IUPAC4-[(1-benzyltetrazol-5-yl)methyl]morpholine
SMILESc1ccc(Cn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C13H17N5O/c1-2-4-12(5-3-1)10-18-13(14-15-16-18)11-17-6-8-19-9-7-17/h1-5H,6-11H2
InChIKeyALZVPPAEQPXOBZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.55
Rot. Bonds4

About 4-[(1-benzyltetrazol-5-yl)methyl]morpholine

4-[(1-benzyltetrazol-5-yl)methyl]morpholine (PubChem CID 1438531) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(1-benzyltetrazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-benzyltetrazol-5-yl)methyl]morpholine
PubChem CID1438531
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[(1-benzyltetrazol-5-yl)methyl]morpholine
SMILESc1ccc(Cn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C13H17N5O/c1-2-4-12(5-3-1)10-18-13(14-15-16-18)11-17-6-8-19-9-7-17/h1-5H,6-11H2
InChIKeyALZVPPAEQPXOBZ-UHFFFAOYSA-N
XLogP0.55
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyltetrazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(1-benzyltetrazol-5-yl)methyl]morpholine (CID 1438531) is 4-[(1-benzyltetrazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-benzyltetrazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-benzyltetrazol-5-yl)methyl]morpholine is c1ccc(Cn2nnnc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[(1-benzyltetrazol-5-yl)methyl]morpholine?
The InChIKey is ALZVPPAEQPXOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-4-12(5-3-1)10-18-13(14-15-16-18)11-17-6-8-19-9-7-17/h1-5H,6-11H2.
What are the key properties of 4-[(1-benzyltetrazol-5-yl)methyl]morpholine?
4-[(1-benzyltetrazol-5-yl)methyl]morpholine has a molecular weight of 259.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyltetrazol-5-yl)methyl]morpholine is sourced from PubChem (CID 1438531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).