4-[1-(benzotriazol-1-yl)propyl]morpholine

C13H18N4O — CID 4639790

IUPAC4-[1-(benzotriazol-1-yl)propyl]morpholine
SMILESCCC(N1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C13H18N4O/c1-2-13(16-7-9-18-10-8-16)17-12-6-4-3-5-11(12)14-15-17/h3-6,13H,2,7-10H2,1H3
InChIKeyXKTFTRZSEZZRNG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.67
Rot. Bonds3

About 4-[1-(benzotriazol-1-yl)propyl]morpholine

4-[1-(benzotriazol-1-yl)propyl]morpholine (PubChem CID 4639790) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[1-(benzotriazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[1-(benzotriazol-1-yl)propyl]morpholine
PubChem CID4639790
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[1-(benzotriazol-1-yl)propyl]morpholine
SMILESCCC(N1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C13H18N4O/c1-2-13(16-7-9-18-10-8-16)17-12-6-4-3-5-11(12)14-15-17/h3-6,13H,2,7-10H2,1H3
InChIKeyXKTFTRZSEZZRNG-UHFFFAOYSA-N
XLogP1.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzotriazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[1-(benzotriazol-1-yl)propyl]morpholine (CID 4639790) is 4-[1-(benzotriazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[1-(benzotriazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[1-(benzotriazol-1-yl)propyl]morpholine is CCC(N1CCOCC1)n1nnc2ccccc21.
What is the InChIKey of 4-[1-(benzotriazol-1-yl)propyl]morpholine?
The InChIKey is XKTFTRZSEZZRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-2-13(16-7-9-18-10-8-16)17-12-6-4-3-5-11(12)14-15-17/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 4-[1-(benzotriazol-1-yl)propyl]morpholine?
4-[1-(benzotriazol-1-yl)propyl]morpholine has a molecular weight of 246.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzotriazol-1-yl)propyl]morpholine is sourced from PubChem (CID 4639790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).