5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide

C22H25N5O2 — CID 42692817

IUPAC5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O2/c28-22(23-11-12-26-13-15-29-16-14-26)21-24-20(17-18-7-3-1-4-8-18)27(25-21)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,28)
InChIKeyBYDNFPUDJQGVHV-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.92
Rot. Bonds7

About 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide

5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692817) has the molecular formula C22H25N5O2 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692817
Molecular FormulaC22H25N5O2
Molecular Weight391.47 g/mol
Exact Mass391.20
IUPAC Name5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H25N5O2/c28-22(23-11-12-26-13-15-29-16-14-26)21-24-20(17-18-7-3-1-4-8-18)27(25-21)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,28)
InChIKeyBYDNFPUDJQGVHV-UHFFFAOYSA-N
XLogP1.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692817) is 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(NCCN1CCOCC1)c1nc(Cc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BYDNFPUDJQGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22(23-11-12-26-13-15-29-16-14-26)21-24-20(17-18-7-3-1-4-8-18)27(25-21)19-9-5-2-6-10-19/h1-10H,11-17H2,(H,23,28).
What are the key properties of 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide?
5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(2-morpholin-4-ylethyl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).