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

C23H23N7O2 — CID 71565663

IUPAC[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1-n1nccn1
InChIInChI=1S/C23H23N7O2/c1-17-4-2-7-21(22(17)30-26-10-11-27-30)23(31)28-12-13-32-16-20(28)15-18-5-3-6-19(14-18)29-24-8-9-25-29/h2-11,14,20H,12-13,15-16H2,1H3/t20-/m1/s1
InChIKeyNERGNQKZFUFHEN-HXUWFJFHSA-N
MW429.48 g/mol
LogP2.24
Rot. Bonds5

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

[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71565663) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71565663
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1-n1nccn1
InChIInChI=1S/C23H23N7O2/c1-17-4-2-7-21(22(17)30-26-10-11-27-30)23(31)28-12-13-32-16-20(28)15-18-5-3-6-19(14-18)29-24-8-9-25-29/h2-11,14,20H,12-13,15-16H2,1H3/t20-/m1/s1
InChIKeyNERGNQKZFUFHEN-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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71565663) is [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1-n1nccn1.
What is the InChIKey of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is NERGNQKZFUFHEN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-17-4-2-7-21(22(17)30-26-10-11-27-30)23(31)28-12-13-32-16-20(28)15-18-5-3-6-19(14-18)29-24-8-9-25-29/h2-11,14,20H,12-13,15-16H2,1H3/t20-/m1/s1.
What are the key properties of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone?
[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-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 [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71565663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).