(3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine

C12H22N4O2 — CID 167784494

IUPAC(3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine
SMILESCCOCc1nnc(N2CCOC[C@H]2C)n1CC
InChIInChI=1S/C12H22N4O2/c1-4-15-11(9-17-5-2)13-14-12(15)16-6-7-18-8-10(16)3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyXYXPVFZZARGZIL-SNVBAGLBSA-N
MW254.33 g/mol
LogP1.06
Rot. Bonds5

About (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine

(3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine (PubChem CID 167784494) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine
PubChem CID167784494
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine
SMILESCCOCc1nnc(N2CCOC[C@H]2C)n1CC
InChIInChI=1S/C12H22N4O2/c1-4-15-11(9-17-5-2)13-14-12(15)16-6-7-18-8-10(16)3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyXYXPVFZZARGZIL-SNVBAGLBSA-N
XLogP1.06
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine (CID 167784494) is (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine is CCOCc1nnc(N2CCOC[C@H]2C)n1CC.
What is the InChIKey of (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine?
The InChIKey is XYXPVFZZARGZIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-15-11(9-17-5-2)13-14-12(15)16-6-7-18-8-10(16)3/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine?
(3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine has a molecular weight of 254.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[5-(ethoxymethyl)-4-ethyl-1,2,4-triazol-3-yl]-3-methylmorpholine is sourced from PubChem (CID 167784494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).