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

C11H12N4O4 — CID 136832116

IUPACN-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(=O)[nH]2)cc1OC
InChIInChI=1S/C11H12N4O4/c1-18-7-4-3-6(5-8(7)19-2)12-10(16)9-13-11(17)15-14-9/h3-5H,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyORZQRZDLKMTIQJ-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.37
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136832116) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136832116
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC NameN-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]c(=O)[nH]2)cc1OC
InChIInChI=1S/C11H12N4O4/c1-18-7-4-3-6(5-8(7)19-2)12-10(16)9-13-11(17)15-14-9/h3-5H,1-2H3,(H,12,16)(H2,13,14,15,17)
InChIKeyORZQRZDLKMTIQJ-UHFFFAOYSA-N
XLogP0.37
TPSA109.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(3,4-dimethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 110860648
1-(3,4-dimethoxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887187
5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
CID 110484954
(3,4-dimethoxyphenyl)urea
CID 21197430
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392915
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136832116) is N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is COc1ccc(NC(=O)c2n[nH]c(=O)[nH]2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is ORZQRZDLKMTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-18-7-4-3-6(5-8(7)19-2)12-10(16)9-13-11(17)15-14-9/h3-5H,1-2H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 264.24 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136832116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).