4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine

C13H23N5O — CID 139733716

IUPAC4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine
SMILESc1c(CN2CCOCC2)nnn1CCN1CCCC1
InChIInChI=1S/C13H23N5O/c1-2-4-16(3-1)5-6-18-12-13(14-15-18)11-17-7-9-19-10-8-17/h12H,1-11H2
InChIKeyIZQHIJSMKVHWTM-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.21
Rot. Bonds5

About 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine

4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine (PubChem CID 139733716) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine
PubChem CID139733716
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine
SMILESc1c(CN2CCOCC2)nnn1CCN1CCCC1
InChIInChI=1S/C13H23N5O/c1-2-4-16(3-1)5-6-18-12-13(14-15-18)11-17-7-9-19-10-8-17/h12H,1-11H2
InChIKeyIZQHIJSMKVHWTM-UHFFFAOYSA-N
XLogP0.21
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine (CID 139733716) is 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine is c1c(CN2CCOCC2)nnn1CCN1CCCC1.
What is the InChIKey of 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine?
The InChIKey is IZQHIJSMKVHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-4-16(3-1)5-6-18-12-13(14-15-18)11-17-7-9-19-10-8-17/h12H,1-11H2.
What are the key properties of 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine?
4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine has a molecular weight of 265.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 139733716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).