2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide

C15H19N5O2 — CID 72919450

IUPAC2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide
SMILESCn1nc(CC(N)=O)nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N5O2/c1-19-15(17-14(18-19)10-13(16)21)11-2-4-12(5-3-11)20-6-8-22-9-7-20/h2-5H,6-10H2,1H3,(H2,16,21)
InChIKeyBTKKLYYDMMTKER-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.35
Rot. Bonds4

About 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide

2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 72919450) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID72919450
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide
SMILESCn1nc(CC(N)=O)nc1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H19N5O2/c1-19-15(17-14(18-19)10-13(16)21)11-2-4-12(5-3-11)20-6-8-22-9-7-20/h2-5H,6-10H2,1H3,(H2,16,21)
InChIKeyBTKKLYYDMMTKER-UHFFFAOYSA-N
XLogP0.35
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide (CID 72919450) is 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide is Cn1nc(CC(N)=O)nc1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is BTKKLYYDMMTKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-19-15(17-14(18-19)10-13(16)21)11-2-4-12(5-3-11)20-6-8-22-9-7-20/h2-5H,6-10H2,1H3,(H2,16,21).
What are the key properties of 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide?
2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(4-morpholin-4-ylphenyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).