(1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol

C18H20N4O2 — CID 154759292

IUPAC(1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol
SMILESO[C@@H](CN1CCOCC1c1ncn[nH]1)c1cccc2ccccc12
InChIInChI=1S/C18H20N4O2/c23-17(15-7-3-5-13-4-1-2-6-14(13)15)10-22-8-9-24-11-16(22)18-19-12-20-21-18/h1-7,12,16-17,23H,8-11H2,(H,19,20,21)/t16?,17-/m0/s1
InChIKeyIBERISVNCJVQTG-DJNXLDHESA-N
MW324.38 g/mol
LogP2.06
Rot. Bonds4

About (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol

(1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol (PubChem CID 154759292) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol
PubChem CID154759292
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol
SMILESO[C@@H](CN1CCOCC1c1ncn[nH]1)c1cccc2ccccc12
InChIInChI=1S/C18H20N4O2/c23-17(15-7-3-5-13-4-1-2-6-14(13)15)10-22-8-9-24-11-16(22)18-19-12-20-21-18/h1-7,12,16-17,23H,8-11H2,(H,19,20,21)/t16?,17-/m0/s1
InChIKeyIBERISVNCJVQTG-DJNXLDHESA-N
XLogP2.06
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol?
The IUPAC name of (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol (CID 154759292) is (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol?
The canonical SMILES for (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol is O[C@@H](CN1CCOCC1c1ncn[nH]1)c1cccc2ccccc12.
What is the InChIKey of (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol?
The InChIKey is IBERISVNCJVQTG-DJNXLDHESA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(15-7-3-5-13-4-1-2-6-14(13)15)10-22-8-9-24-11-16(22)18-19-12-20-21-18/h1-7,12,16-17,23H,8-11H2,(H,19,20,21)/t16?,17-/m0/s1.
What are the key properties of (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol?
(1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol has a molecular weight of 324.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol is sourced from PubChem (CID 154759292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).