2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide

C16H16N6O2 — CID 137025275

IUPAC2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]1)NCCc1nccc(-c2ccccc2)n1
InChIInChI=1S/C16H16N6O2/c23-15(10-14-20-16(24)22-21-14)18-9-7-13-17-8-6-12(19-13)11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H,18,23)(H2,20,21,22,24)
InChIKeyMVXIHFRGYWGUCL-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.46
Rot. Bonds6

About 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide

2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide (PubChem CID 137025275) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide
PubChem CID137025275
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)[nH]1)NCCc1nccc(-c2ccccc2)n1
InChIInChI=1S/C16H16N6O2/c23-15(10-14-20-16(24)22-21-14)18-9-7-13-17-8-6-12(19-13)11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H,18,23)(H2,20,21,22,24)
InChIKeyMVXIHFRGYWGUCL-UHFFFAOYSA-N
XLogP0.46
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide with MolForge

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Related Compounds

2-ethyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrimidine-5-carboxamide
CID 50959450
N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122570692
2-(furan-2-yl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 154858356
N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
CID 136664838
2-(2-chloroethyl)-4-phenylpyrimidine
CID 116899322
4-phenyl-2-(2-phenylethyl)pyrimidine
CID 150687160
N-(2-phenylethyl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 6487647
N-(benzylsulfamoyl)-2-(4-phenylpyrimidin-2-yl)ethanamine
CID 56867410
1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
CID 116901555
3-[[2-(4-phenylpyrimidin-2-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 70779327
N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 71694697
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide (CID 137025275) is 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide is O=C(Cc1n[nH]c(=O)[nH]1)NCCc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide?
The InChIKey is MVXIHFRGYWGUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-15(10-14-20-16(24)22-21-14)18-9-7-13-17-8-6-12(19-13)11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H,18,23)(H2,20,21,22,24).
What are the key properties of 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide?
2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 137025275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).