5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide

C12H14N4O3 — CID 136832112

IUPAC5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c1-7(2)19-9-6-4-3-5-8(9)13-11(17)10-14-12(18)16-15-10/h3-7H,1-2H3,(H,13,17)(H2,14,15,16,18)
InChIKeyLQYMBJQDUURZTG-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.14
Rot. Bonds4

About 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide

5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832112) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832112
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c1-7(2)19-9-6-4-3-5-8(9)13-11(17)10-14-12(18)16-15-10/h3-7H,1-2H3,(H,13,17)(H2,14,15,16,18)
InChIKeyLQYMBJQDUURZTG-UHFFFAOYSA-N
XLogP1.14
TPSA99.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(2-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 61258324
N-(2-tert-butylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832089
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
2-oxo-N-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110692726
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110693809
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
N-(2-propan-2-yloxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585410
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832112) is 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is LQYMBJQDUURZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7(2)19-9-6-4-3-5-8(9)13-11(17)10-14-12(18)16-15-10/h3-7H,1-2H3,(H,13,17)(H2,14,15,16,18).
What are the key properties of 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide?
5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-propan-2-yloxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).