[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone

C23H23N7O2 — CID 71566196

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cncn3)c2)c1
InChIInChI=1S/C23H23N7O2/c1-17-5-6-22(30-25-7-8-26-30)21(11-17)23(31)28-9-10-32-14-20(28)13-18-3-2-4-19(12-18)29-16-24-15-27-29/h2-8,11-12,15-16,20H,9-10,13-14H2,1H3/t20-/m1/s1
InChIKeyPUZJVVRRRYQHLK-HXUWFJFHSA-N
MW429.48 g/mol
LogP2.24
Rot. Bonds5

About [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone

[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71566196) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71566196
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cncn3)c2)c1
InChIInChI=1S/C23H23N7O2/c1-17-5-6-22(30-25-7-8-26-30)21(11-17)23(31)28-9-10-32-14-20(28)13-18-3-2-4-19(12-18)29-16-24-15-27-29/h2-8,11-12,15-16,20H,9-10,13-14H2,1H3/t20-/m1/s1
InChIKeyPUZJVVRRRYQHLK-HXUWFJFHSA-N
XLogP2.24
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone 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

[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565663
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 89560003
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrrol-1-ylphenyl)methyl]morpholin-4-yl]methanone
CID 71565875
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566431
[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566516
[(2R,5R)-2-methyl-5-[(3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118117572
[(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565517
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565665
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565729
[3-methyl-2-(triazol-2-yl)phenyl]-[(3S,5R)-3-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565733
[5-methyl-2-(triazol-2-yl)phenyl]-[(3S,5R)-3-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565734
[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71565793

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71566196) is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cncn3)c2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is PUZJVVRRRYQHLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-17-5-6-22(30-25-7-8-26-30)21(11-17)23(31)28-9-10-32-14-20(28)13-18-3-2-4-19(12-18)29-16-24-15-27-29/h2-8,11-12,15-16,20H,9-10,13-14H2,1H3/t20-/m1/s1.
What are the key properties of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 429.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).