4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine

C15H20N4O — CID 56714438

IUPAC4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine
SMILESc1ccc(-n2cnnc2CCCN2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-5-14(6-3-1)19-13-16-17-15(19)7-4-8-18-9-11-20-12-10-18/h1-3,5-6,13H,4,7-12H2
InChIKeyFGYINDLQNPBPDH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.53
Rot. Bonds5

About 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine

4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine (PubChem CID 56714438) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine
PubChem CID56714438
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine
SMILESc1ccc(-n2cnnc2CCCN2CCOCC2)cc1
InChIInChI=1S/C15H20N4O/c1-2-5-14(6-3-1)19-13-16-17-15(19)7-4-8-18-9-11-20-12-10-18/h1-3,5-6,13H,4,7-12H2
InChIKeyFGYINDLQNPBPDH-UHFFFAOYSA-N
XLogP1.53
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine?
The IUPAC name of 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine (CID 56714438) is 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine is c1ccc(-n2cnnc2CCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine?
The InChIKey is FGYINDLQNPBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-5-14(6-3-1)19-13-16-17-15(19)7-4-8-18-9-11-20-12-10-18/h1-3,5-6,13H,4,7-12H2.
What are the key properties of 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine?
4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]morpholine is sourced from PubChem (CID 56714438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).