N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C13H16N4O2 — CID 136832089

IUPACN-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)8-6-4-5-7-9(8)14-11(18)10-15-12(19)17-16-10/h4-7H,1-3H3,(H,14,18)(H2,15,16,17,19)
InChIKeyCDCJXBRVFKBLIZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.65
Rot. Bonds2

About N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832089) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832089
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)8-6-4-5-7-9(8)14-11(18)10-15-12(19)17-16-10/h4-7H,1-3H3,(H,14,18)(H2,15,16,17,19)
InChIKeyCDCJXBRVFKBLIZ-UHFFFAOYSA-N
XLogP1.65
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832112
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821778
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807691
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
3-N,5-N-bis(2-tert-butylphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097819
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110858372

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832089) is N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is CDCJXBRVFKBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,3)8-6-4-5-7-9(8)14-11(18)10-15-12(19)17-16-10/h4-7H,1-3H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).