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

C22H21N7O2 — CID 71524808

IUPAC[2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1
InChIInChI=1S/C22H21N7O2/c30-22(20-6-1-2-7-21(20)29-25-10-11-26-29)27-12-13-31-16-19(27)15-17-4-3-5-18(14-17)28-23-8-9-24-28/h1-11,14,19H,12-13,15-16H2/t19-/m1/s1
InChIKeyHCNLIVZSGOZAEH-LJQANCHMSA-N
MW415.46 g/mol
LogP1.93
Rot. Bonds5

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

[2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71524808) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71524808
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name[2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1
InChIInChI=1S/C22H21N7O2/c30-22(20-6-1-2-7-21(20)29-25-10-11-26-29)27-12-13-31-16-19(27)15-17-4-3-5-18(14-17)28-23-8-9-24-28/h1-11,14,19H,12-13,15-16H2/t19-/m1/s1
InChIKeyHCNLIVZSGOZAEH-LJQANCHMSA-N
XLogP1.93
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

Nivasorexant
CID 71566267
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R,5R)-3-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565800
US9150566, Ref. 4
CID 89560395
US9150566, Ref. 2
CID 89560421
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565520
[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565663
[(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565664
[(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 71565666
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565731
[4-methyl-2-(triazol-2-yl)phenyl]-[(3S,5R)-3-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565732
[4-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565952
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566197

Frequently Asked Questions

What is the IUPAC name of [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71524808) is [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is O=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1.
What is the InChIKey of [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is HCNLIVZSGOZAEH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-22(20-6-1-2-7-21(20)29-25-10-11-26-29)27-12-13-31-16-19(27)15-17-4-3-5-18(14-17)28-23-8-9-24-28/h1-11,14,19H,12-13,15-16H2/t19-/m1/s1.
What are the key properties of [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
[2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 415.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71524808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).