4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine

C15H19BrN4O — CID 50852596

IUPAC4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine
SMILESBrc1ccc(-c2cn(CCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H19BrN4O/c16-14-4-2-13(3-5-14)15-12-20(18-17-15)7-1-6-19-8-10-21-11-9-19/h2-5,12H,1,6-11H2
InChIKeyFZEXMSRPFPWXKE-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.43
Rot. Bonds5

About 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine

4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine (PubChem CID 50852596) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine
PubChem CID50852596
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine
SMILESBrc1ccc(-c2cn(CCCN3CCOCC3)nn2)cc1
InChIInChI=1S/C15H19BrN4O/c16-14-4-2-13(3-5-14)15-12-20(18-17-15)7-1-6-19-8-10-21-11-9-19/h2-5,12H,1,6-11H2
InChIKeyFZEXMSRPFPWXKE-UHFFFAOYSA-N
XLogP2.43
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine (CID 50852596) is 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine is Brc1ccc(-c2cn(CCCN3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine?
The InChIKey is FZEXMSRPFPWXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c16-14-4-2-13(3-5-14)15-12-20(18-17-15)7-1-6-19-8-10-21-11-9-19/h2-5,12H,1,6-11H2.
What are the key properties of 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine?
4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine has a molecular weight of 351.25 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-bromophenyl)triazol-1-yl]propyl]morpholine is sourced from PubChem (CID 50852596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).