4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine

C20H22N4O — CID 141289585

IUPAC4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine
SMILESc1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C20H22N4O/c1-2-4-17(5-3-1)15-24-16-20(21-22-24)19-8-6-18(7-9-19)14-23-10-12-25-13-11-23/h1-9,16H,10-15H2
InChIKeyMKVAJOFAVOVCDU-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds5

About 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine

4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine (PubChem CID 141289585) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine
PubChem CID141289585
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine
SMILESc1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cc3)nn2)cc1
InChIInChI=1S/C20H22N4O/c1-2-4-17(5-3-1)15-24-16-20(21-22-24)19-8-6-18(7-9-19)14-23-10-12-25-13-11-23/h1-9,16H,10-15H2
InChIKeyMKVAJOFAVOVCDU-UHFFFAOYSA-N
XLogP2.83
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine (CID 141289585) is 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine is c1ccc(Cn2cc(-c3ccc(CN4CCOCC4)cc3)nn2)cc1.
What is the InChIKey of 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine?
The InChIKey is MKVAJOFAVOVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-4-17(5-3-1)15-24-16-20(21-22-24)19-8-6-18(7-9-19)14-23-10-12-25-13-11-23/h1-9,16H,10-15H2.
What are the key properties of 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine?
4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine has a molecular weight of 334.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-benzyltriazol-4-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 141289585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).