4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine

C14H19N5O — CID 6421906

IUPAC4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine
SMILESc1ccc(CCn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C14H19N5O/c1-2-4-13(5-3-1)6-7-19-14(15-16-17-19)12-18-8-10-20-11-9-18/h1-5H,6-12H2
InChIKeyWPSSSZXUUVCXFV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.75
Rot. Bonds5

About 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine

4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 6421906) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine
PubChem CID6421906
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine
SMILESc1ccc(CCn2nnnc2CN2CCOCC2)cc1
InChIInChI=1S/C14H19N5O/c1-2-4-13(5-3-1)6-7-19-14(15-16-17-19)12-18-8-10-20-11-9-18/h1-5H,6-12H2
InChIKeyWPSSSZXUUVCXFV-UHFFFAOYSA-N
XLogP0.75
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine (CID 6421906) is 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine is c1ccc(CCn2nnnc2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is WPSSSZXUUVCXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-4-13(5-3-1)6-7-19-14(15-16-17-19)12-18-8-10-20-11-9-18/h1-5H,6-12H2.
What are the key properties of 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine?
4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 273.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine is sourced from PubChem (CID 6421906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).