2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone

C17H18N6O2 — CID 152702899

IUPAC2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCOC(c2ccc(-c3ncn[nH]3)cc2)C1
InChIInChI=1S/C17H18N6O2/c24-16(10-22-6-5-18-12-22)23-7-8-25-15(9-23)13-1-3-14(4-2-13)17-19-11-20-21-17/h1-6,11-12,15H,7-10H2,(H,19,20,21)
InChIKeyZRYKSXANPADERA-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.27
Rot. Bonds4

About 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone

2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone (PubChem CID 152702899) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone
PubChem CID152702899
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone
SMILESO=C(Cn1ccnc1)N1CCOC(c2ccc(-c3ncn[nH]3)cc2)C1
InChIInChI=1S/C17H18N6O2/c24-16(10-22-6-5-18-12-22)23-7-8-25-15(9-23)13-1-3-14(4-2-13)17-19-11-20-21-17/h1-6,11-12,15H,7-10H2,(H,19,20,21)
InChIKeyZRYKSXANPADERA-UHFFFAOYSA-N
XLogP1.27
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone (CID 152702899) is 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone is O=C(Cn1ccnc1)N1CCOC(c2ccc(-c3ncn[nH]3)cc2)C1.
What is the InChIKey of 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone?
The InChIKey is ZRYKSXANPADERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(10-22-6-5-18-12-22)23-7-8-25-15(9-23)13-1-3-14(4-2-13)17-19-11-20-21-17/h1-6,11-12,15H,7-10H2,(H,19,20,21).
What are the key properties of 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone?
2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone has a molecular weight of 338.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 152702899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).