4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine

C19H22N4O2 — CID 134135068

IUPAC4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine
SMILESc1ccc2cc(OCc3cn(CCN4CCOCC4)nn3)ccc2c1
InChIInChI=1S/C19H22N4O2/c1-2-4-17-13-19(6-5-16(17)3-1)25-15-18-14-23(21-20-18)8-7-22-9-11-24-12-10-22/h1-6,13-14H,7-12,15H2
InChIKeyDBDZJBISFHSQEM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.34
Rot. Bonds6

About 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine

4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine (PubChem CID 134135068) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine
PubChem CID134135068
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine
SMILESc1ccc2cc(OCc3cn(CCN4CCOCC4)nn3)ccc2c1
InChIInChI=1S/C19H22N4O2/c1-2-4-17-13-19(6-5-16(17)3-1)25-15-18-14-23(21-20-18)8-7-22-9-11-24-12-10-22/h1-6,13-14H,7-12,15H2
InChIKeyDBDZJBISFHSQEM-UHFFFAOYSA-N
XLogP2.34
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine (CID 134135068) is 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine is c1ccc2cc(OCc3cn(CCN4CCOCC4)nn3)ccc2c1.
What is the InChIKey of 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine?
The InChIKey is DBDZJBISFHSQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-4-17-13-19(6-5-16(17)3-1)25-15-18-14-23(21-20-18)8-7-22-9-11-24-12-10-22/h1-6,13-14H,7-12,15H2.
What are the key properties of 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine?
4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine has a molecular weight of 338.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 134135068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).