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

C21H24N4O — CID 126784932

IUPAC2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCOC(Cc3ccccc3)C2)nnc1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-24-20(22-23-21(24)18-10-6-3-7-11-18)16-25-12-13-26-19(15-25)14-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyIMNQXEOUIGPNMV-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.93
Rot. Bonds5

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

2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 126784932) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID126784932
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCn1c(CN2CCOC(Cc3ccccc3)C2)nnc1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-24-20(22-23-21(24)18-10-6-3-7-11-18)16-25-12-13-26-19(15-25)14-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyIMNQXEOUIGPNMV-UHFFFAOYSA-N
XLogP2.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126771666
(2R)-2-(2-chlorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 98448962
2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
CID 122135267
(2R)-2-(3-chloro-4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 99816366
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
2-benzyl-4-dodecylmorpholine
CID 70634633
(2S)-4-[(2-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 8523033
4-[(2,3-dimethylimidazol-4-yl)methyl]-2-(3-phenylpropyl)morpholine
CID 45245084
2-benzyl-4-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholine
CID 171678933
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70161855

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 126784932) is 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is Cn1c(CN2CCOC(Cc3ccccc3)C2)nnc1-c1ccccc1.
What is the InChIKey of 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is IMNQXEOUIGPNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-20(22-23-21(24)18-10-6-3-7-11-18)16-25-12-13-26-19(15-25)14-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3.
What are the key properties of 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine?
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 348.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 126784932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).