2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine

C20H21FN4O — CID 126771666

IUPAC2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCOC(c3ccc(F)cc3)C2)nnc1-c1ccccc1
InChIInChI=1S/C20H21FN4O/c1-24-19(22-23-20(24)16-5-3-2-4-6-16)14-25-11-12-26-18(13-25)15-7-9-17(21)10-8-15/h2-10,18H,11-14H2,1H3
InChIKeyFWLNLDLYULYFJU-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.19
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine

2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 126771666) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID126771666
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCOC(c3ccc(F)cc3)C2)nnc1-c1ccccc1
InChIInChI=1S/C20H21FN4O/c1-24-19(22-23-20(24)16-5-3-2-4-6-16)14-25-11-12-26-18(13-25)15-7-9-17(21)10-8-15/h2-10,18H,11-14H2,1H3
InChIKeyFWLNLDLYULYFJU-UHFFFAOYSA-N
XLogP3.19
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 126771666) is 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is Cn1c(CN2CCOC(c3ccc(F)cc3)C2)nnc1-c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is FWLNLDLYULYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24-19(22-23-20(24)16-5-3-2-4-6-16)14-25-11-12-26-18(13-25)15-7-9-17(21)10-8-15/h2-10,18H,11-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 352.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 126771666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).