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

C19H26N4O — CID 129342975

IUPAC(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine
SMILESCCn1cnnc1[C@H]1CN(C[C@@H]2CCc3ccccc3C2)CCO1
InChIInChI=1S/C19H26N4O/c1-2-23-14-20-21-19(23)18-13-22(9-10-24-18)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-6,14-15,18H,2,7-13H2,1H3/t15-,18-/m1/s1
InChIKeyVQVRRTGPVJLPFL-CRAIPNDOSA-N
MW326.44 g/mol
LogP2.48
Rot. Bonds4

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

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine (PubChem CID 129342975) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine
PubChem CID129342975
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine
SMILESCCn1cnnc1[C@H]1CN(C[C@@H]2CCc3ccccc3C2)CCO1
InChIInChI=1S/C19H26N4O/c1-2-23-14-20-21-19(23)18-13-22(9-10-24-18)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-6,14-15,18H,2,7-13H2,1H3/t15-,18-/m1/s1
InChIKeyVQVRRTGPVJLPFL-CRAIPNDOSA-N
XLogP2.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.48
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-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine?
The IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine (CID 129342975) is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine.
What is the SMILES notation for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine?
The canonical SMILES for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine is CCn1cnnc1[C@H]1CN(C[C@@H]2CCc3ccccc3C2)CCO1.
What is the InChIKey of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine?
The InChIKey is VQVRRTGPVJLPFL-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-23-14-20-21-19(23)18-13-22(9-10-24-18)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-6,14-15,18H,2,7-13H2,1H3/t15-,18-/m1/s1.
What are the key properties of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine?
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine has a molecular weight of 326.44 g/mol, XLogP of 2.48, 4 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-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine is sourced from PubChem (CID 129342975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).