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

C22H25FN4O — CID 175553104

IUPAC2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2nc(CC3CNCCO3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN4O/c1-15(2)16-3-5-17(6-4-16)22-25-21(13-20-14-24-11-12-28-20)26-27(22)19-9-7-18(23)8-10-19/h3-10,15,20,24H,11-14H2,1-2H3
InChIKeyBPGUWRDHOHXIQJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds5

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

2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 175553104) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID175553104
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCC(C)c1ccc(-c2nc(CC3CNCCO3)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN4O/c1-15(2)16-3-5-17(6-4-16)22-25-21(13-20-14-24-11-12-28-20)26-27(22)19-9-7-18(23)8-10-19/h3-10,15,20,24H,11-14H2,1-2H3
InChIKeyBPGUWRDHOHXIQJ-UHFFFAOYSA-N
XLogP3.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 72881736
N-methyl-1-(4-methylphenyl)-2-morpholin-2-ylethanamine
CID 116956827
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445359
(2R)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445358
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-morpholin-2-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686106
5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
CID 14531280
2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
CID 142864910

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 175553104) is 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine is CC(C)c1ccc(-c2nc(CC3CNCCO3)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is BPGUWRDHOHXIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-15(2)16-3-5-17(6-4-16)22-25-21(13-20-14-24-11-12-28-20)26-27(22)19-9-7-18(23)8-10-19/h3-10,15,20,24H,11-14H2,1-2H3.
What are the key properties of 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine?
2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 380.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 175553104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).