4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine

C17H17N5O — CID 173316266

IUPAC4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine
SMILESc1ccc(-c2nnnn2-c2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C17H17N5O/c1-2-6-14(7-3-1)17-18-19-20-22(17)16-9-5-4-8-15(16)21-10-12-23-13-11-21/h1-9H,10-13H2
InChIKeyIRPZTFCAZMPZNL-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.17
Rot. Bonds3

About 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine

4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine (PubChem CID 173316266) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine
PubChem CID173316266
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine
SMILESc1ccc(-c2nnnn2-c2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C17H17N5O/c1-2-6-14(7-3-1)17-18-19-20-22(17)16-9-5-4-8-15(16)21-10-12-23-13-11-21/h1-9H,10-13H2
InChIKeyIRPZTFCAZMPZNL-UHFFFAOYSA-N
XLogP2.17
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 137375571
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CID 62098270
4-[2-(5-pyridin-4-ylpyrazol-1-yl)phenyl]morpholine
CID 174700479
(4-morpholin-4-ylphenyl)-(1-phenyltetrazol-5-yl)methanamine
CID 134836088
4-(2-pyrimidin-5-ylphenyl)morpholine
CID 68578973
1-(5-bromo-2-chlorophenyl)-5-phenyltetrazole
CID 62909460
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615
(2R)-1-(2-morpholin-4-ylethylamino)-3-(5-phenyltetrazol-1-yl)propan-2-ol
CID 92764782
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
4-(2-phenyl-1,3-oxazol-5-yl)morpholine
CID 13179056
4-[2-(2-methylphenyl)phenyl]morpholine
CID 173334171
1,1'-biphenyl;ethane;4-phenylmorpholine;toluene
CID 158356993

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine?
The IUPAC name of 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine (CID 173316266) is 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine.
What is the SMILES notation for 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine?
The canonical SMILES for 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine is c1ccc(-c2nnnn2-c2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine?
The InChIKey is IRPZTFCAZMPZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-6-14(7-3-1)17-18-19-20-22(17)16-9-5-4-8-15(16)21-10-12-23-13-11-21/h1-9H,10-13H2.
What are the key properties of 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine?
4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine has a molecular weight of 307.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-phenyltetrazol-1-yl)phenyl]morpholine is sourced from PubChem (CID 173316266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).