N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide

C13H16N4O2 — CID 132596066

IUPACN,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide
SMILESCCN(CC)C(=O)n1cnn(-c2ccccc2)c1=O
InChIInChI=1S/C13H16N4O2/c1-3-15(4-2)12(18)16-10-14-17(13(16)19)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyXEZLNQXVHQYAHZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.34
Rot. Bonds3

About N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide

N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide (PubChem CID 132596066) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide
PubChem CID132596066
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide
SMILESCCN(CC)C(=O)n1cnn(-c2ccccc2)c1=O
InChIInChI=1S/C13H16N4O2/c1-3-15(4-2)12(18)16-10-14-17(13(16)19)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChIKeyXEZLNQXVHQYAHZ-UHFFFAOYSA-N
XLogP1.34
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-oxo-1-phenyl-1,2,4-triazol-4-yl)methyl]-2-phenyl-1,2,4-triazol-3-one
CID 155806253
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 86859455
2-ethyl-4-phenyl-1,2,4-triazol-3-one
CID 155061620
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
N,N-diethyl-4-[(2-fluorophenyl)methyl]-3,5-dioxo-2-phenyl-1,2,4-triazine-6-carboxamide
CID 42835825

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide (CID 132596066) is N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide is CCN(CC)C(=O)n1cnn(-c2ccccc2)c1=O.
What is the InChIKey of N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide?
The InChIKey is XEZLNQXVHQYAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-15(4-2)12(18)16-10-14-17(13(16)19)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide?
N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-oxo-1-phenyl-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 132596066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).