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

C25H24N6O2 — CID 71566032

IUPAC[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3cnccn3)c2)c1
InChIInChI=1S/C25H24N6O2/c1-18-5-6-24(31-28-9-10-29-31)22(13-18)25(32)30-11-12-33-17-21(30)15-19-3-2-4-20(14-19)23-16-26-7-8-27-23/h2-10,13-14,16,21H,11-12,15,17H2,1H3/t21-/m1/s1
InChIKeyWQKDFCTZXNZINF-OAQYLSRUSA-N
MW440.51 g/mol
LogP3.12
Rot. Bonds5

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

[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone (PubChem CID 71566032) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone
PubChem CID71566032
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3cnccn3)c2)c1
InChIInChI=1S/C25H24N6O2/c1-18-5-6-24(31-28-9-10-29-31)22(13-18)25(32)30-11-12-33-17-21(30)15-19-3-2-4-20(14-19)23-16-26-7-8-27-23/h2-10,13-14,16,21H,11-12,15,17H2,1H3/t21-/m1/s1
InChIKeyWQKDFCTZXNZINF-OAQYLSRUSA-N
XLogP3.12
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
The IUPAC name of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone (CID 71566032) is [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
The canonical SMILES for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3cnccn3)c2)c1.
What is the InChIKey of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
The InChIKey is WQKDFCTZXNZINF-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-5-6-24(31-28-9-10-29-31)22(13-18)25(32)30-11-12-33-17-21(30)15-19-3-2-4-20(14-19)23-16-26-7-8-27-23/h2-10,13-14,16,21H,11-12,15,17H2,1H3/t21-/m1/s1.
What are the key properties of [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone?
[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone has a molecular weight of 440.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[(3-pyrazin-2-ylphenyl)methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).