4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine

C14H24N4O2 — CID 72931715

IUPAC4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCn1nc(C2CCOCC2)nc1CN1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-2-18-13(11-17-5-9-20-10-6-17)15-14(16-18)12-3-7-19-8-4-12/h12H,2-11H2,1H3
InChIKeyGEVFNYLNZZSCED-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.02
Rot. Bonds4

About 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine

4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72931715) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72931715
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCCn1nc(C2CCOCC2)nc1CN1CCOCC1
InChIInChI=1S/C14H24N4O2/c1-2-18-13(11-17-5-9-20-10-6-17)15-14(16-18)12-3-7-19-8-4-12/h12H,2-11H2,1H3
InChIKeyGEVFNYLNZZSCED-UHFFFAOYSA-N
XLogP1.02
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 72931715) is 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is CCn1nc(C2CCOCC2)nc1CN1CCOCC1.
What is the InChIKey of 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is GEVFNYLNZZSCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-18-13(11-17-5-9-20-10-6-17)15-14(16-18)12-3-7-19-8-4-12/h12H,2-11H2,1H3.
What are the key properties of 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 280.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72931715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).