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

C24H25N7O2 — CID 71565665

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(-n3nccn3)c2)c1
InChIInChI=1S/C24H25N7O2/c1-17-3-6-22(30-25-7-8-26-30)21(13-17)24(32)29-11-12-33-16-20(29)14-19-5-4-18(2)23(15-19)31-27-9-10-28-31/h3-10,13,15,20H,11-12,14,16H2,1-2H3/t20-/m1/s1
InChIKeyGZYDOWPTMSDVRI-HXUWFJFHSA-N
MW443.51 g/mol
LogP2.55
Rot. Bonds5

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

[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71565665) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71565665
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(-n3nccn3)c2)c1
InChIInChI=1S/C24H25N7O2/c1-17-3-6-22(30-25-7-8-26-30)21(13-17)24(32)29-11-12-33-16-20(29)14-19-5-4-18(2)23(15-19)31-27-9-10-28-31/h3-10,13,15,20H,11-12,14,16H2,1-2H3/t20-/m1/s1
InChIKeyGZYDOWPTMSDVRI-HXUWFJFHSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71565665) is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2ccc(C)c(-n3nccn3)c2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is GZYDOWPTMSDVRI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-17-3-6-22(30-25-7-8-26-30)21(13-17)24(32)29-11-12-33-16-20(29)14-19-5-4-18(2)23(15-19)31-27-9-10-28-31/h3-10,13,15,20H,11-12,14,16H2,1-2H3/t20-/m1/s1.
What are the key properties of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 443.51 g/mol, XLogP of 2.55, 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-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71565665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).