4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

C20H24N4O — CID 138027903

IUPAC4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1ccc2ccccc2c1CN1CCOCC1c1ncnn1C
InChIInChI=1S/C20H24N4O/c1-3-15-8-9-16-6-4-5-7-17(16)18(15)12-24-10-11-25-13-19(24)20-21-14-22-23(20)2/h4-9,14,19H,3,10-13H2,1-2H3
InChIKeyCLQCPHYLMNPWPJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.10
Rot. Bonds4

About 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine

4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 138027903) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID138027903
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCCc1ccc2ccccc2c1CN1CCOCC1c1ncnn1C
InChIInChI=1S/C20H24N4O/c1-3-15-8-9-16-6-4-5-7-17(16)18(15)12-24-10-11-25-13-19(24)20-21-14-22-23(20)2/h4-9,14,19H,3,10-13H2,1-2H3
InChIKeyCLQCPHYLMNPWPJ-UHFFFAOYSA-N
XLogP3.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine (CID 138027903) is 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is CCc1ccc2ccccc2c1CN1CCOCC1c1ncnn1C.
What is the InChIKey of 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is CLQCPHYLMNPWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-15-8-9-16-6-4-5-7-17(16)18(15)12-24-10-11-25-13-19(24)20-21-14-22-23(20)2/h4-9,14,19H,3,10-13H2,1-2H3.
What are the key properties of 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine?
4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 336.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 138027903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).