(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine

C18H23FN4O — CID 129337676

IUPAC(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
SMILESCCn1cnnc1[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1
InChIInChI=1S/C18H23FN4O/c1-2-22-12-20-21-18(22)17-11-23(8-9-24-17)16-5-3-4-13-6-7-14(19)10-15(13)16/h6-7,10,12,16-17H,2-5,8-9,11H2,1H3/t16-,17-/m1/s1
InChIKeyLZPZHDKSOQTHOE-IAGOWNOFSA-N
MW330.41 g/mol
LogP2.89
Rot. Bonds3

About (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine (PubChem CID 129337676) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
PubChem CID129337676
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
SMILESCCn1cnnc1[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1
InChIInChI=1S/C18H23FN4O/c1-2-22-12-20-21-18(22)17-11-23(8-9-24-17)16-5-3-4-13-6-7-14(19)10-15(13)16/h6-7,10,12,16-17H,2-5,8-9,11H2,1H3/t16-,17-/m1/s1
InChIKeyLZPZHDKSOQTHOE-IAGOWNOFSA-N
XLogP2.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine (CID 129337676) is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine.
What is the SMILES notation for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The canonical SMILES for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine is CCn1cnnc1[C@H]1CN([C@@H]2CCCc3ccc(F)cc32)CCO1.
What is the InChIKey of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
The InChIKey is LZPZHDKSOQTHOE-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-2-22-12-20-21-18(22)17-11-23(8-9-24-17)16-5-3-4-13-6-7-14(19)10-15(13)16/h6-7,10,12,16-17H,2-5,8-9,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine?
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine has a molecular weight of 330.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine is sourced from PubChem (CID 129337676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).