2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H16N6O2 — CID 134004336

IUPAC2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H16N6O2/c1-10-14(11(2)21(3)20-10)15(23)16(24)19-12-6-4-5-7-13(12)22-9-17-8-18-22/h4-9H,1-3H3,(H,19,24)
InChIKeyNJMZEMKGQFCJBZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.44
Rot. Bonds4

About 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 134004336) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID134004336
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1C(=O)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H16N6O2/c1-10-14(11(2)21(3)20-10)15(23)16(24)19-12-6-4-5-7-13(12)22-9-17-8-18-22/h4-9H,1-3H3,(H,19,24)
InChIKeyNJMZEMKGQFCJBZ-UHFFFAOYSA-N
XLogP1.44
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
phenyl N-[2-(1,2,4-triazol-1-yl)phenyl]carbamate
CID 60755049
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111696311
4-bromo-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrole-2-carboxamide
CID 60956274
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 35371590
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
N-(2,5-dimethoxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134061803
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 134004336) is 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1C(=O)C(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is NJMZEMKGQFCJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-14(11(2)21(3)20-10)15(23)16(24)19-12-6-4-5-7-13(12)22-9-17-8-18-22/h4-9H,1-3H3,(H,19,24).
What are the key properties of 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1,2,4-triazol-1-yl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134004336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).