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

C24H25N7O2 — CID 71565520

IUPAC[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1
InChIInChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-15-18(2)33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
InChIKeyXDAZJJGYLDZHNW-WIYYLYMNSA-N
MW443.51 g/mol
LogP2.63
Rot. Bonds5

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

[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71565520) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71565520
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1
InChIInChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-15-18(2)33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1
InChIKeyXDAZJJGYLDZHNW-WIYYLYMNSA-N
XLogP2.63
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118116740
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565731
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566197
[(2S,5R)-5-(5-chloro-4-methyl-1H-benzimidazol-2-yl)-2-methylmorpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 146571686
(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503257
[2-(hydroxymethyl)-5-methyl-1,3-oxazolidin-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020540
[2-(hydroxymethyl)-5-methyl-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118020544
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 46204245
ethyl 5-methyl-3-[5-methyl-2-(triazol-2-yl)benzoyl]-1,3-oxazinane-2-carboxylate
CID 118020502
[(3R)-3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566268
[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78114294
[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone
CID 78114425

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71565520) is [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is Cc1ccc(C(=O)N2C[C@@H](C)OC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1.
What is the InChIKey of [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is XDAZJJGYLDZHNW-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-17-6-7-22(23(12-17)31-27-10-11-28-31)24(32)29-15-18(2)33-16-21(29)14-19-4-3-5-20(13-19)30-25-8-9-26-30/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1.
What are the key properties of [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 443.51 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71565520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).