4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine

C18H26N4O2 — CID 128976072

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine
SMILESCCn1ncnc1CN1CC(COc2ccccc2)OC(C)(C)C1
InChIInChI=1S/C18H26N4O2/c1-4-22-17(19-14-20-22)11-21-10-16(24-18(2,3)13-21)12-23-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyBHDASLMBSOBNQH-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.36
Rot. Bonds6

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine (PubChem CID 128976072) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine
PubChem CID128976072
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine
SMILESCCn1ncnc1CN1CC(COc2ccccc2)OC(C)(C)C1
InChIInChI=1S/C18H26N4O2/c1-4-22-17(19-14-20-22)11-21-10-16(24-18(2,3)13-21)12-23-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyBHDASLMBSOBNQH-UHFFFAOYSA-N
XLogP2.36
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine (CID 128976072) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine is CCn1ncnc1CN1CC(COc2ccccc2)OC(C)(C)C1.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine?
The InChIKey is BHDASLMBSOBNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-22-17(19-14-20-22)11-21-10-16(24-18(2,3)13-21)12-23-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3.
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine?
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine has a molecular weight of 330.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-6-(phenoxymethyl)morpholine is sourced from PubChem (CID 128976072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).