4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine

C12H22N4O — CID 56740347

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine
SMILESCCCC1COCCN1Cc1ncnn1CC
InChIInChI=1S/C12H22N4O/c1-3-5-11-9-17-7-6-15(11)8-12-13-10-14-16(12)4-2/h10-11H,3-9H2,1-2H3
InChIKeyHGIPDRRHDKHLIC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds5

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine (PubChem CID 56740347) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine
PubChem CID56740347
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine
SMILESCCCC1COCCN1Cc1ncnn1CC
InChIInChI=1S/C12H22N4O/c1-3-5-11-9-17-7-6-15(11)8-12-13-10-14-16(12)4-2/h10-11H,3-9H2,1-2H3
InChIKeyHGIPDRRHDKHLIC-UHFFFAOYSA-N
XLogP1.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine (CID 56740347) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine is CCCC1COCCN1Cc1ncnn1CC.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine?
The InChIKey is HGIPDRRHDKHLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-11-9-17-7-6-15(11)8-12-13-10-14-16(12)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine?
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine has a molecular weight of 238.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-propylmorpholine is sourced from PubChem (CID 56740347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).