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

C11H12N4O3 — CID 53297658

IUPACN-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide
SMILESCOc1cc(NC(=O)n2cnnc2)cc(OC)c1
InChIInChI=1S/C11H12N4O3/c1-17-9-3-8(4-10(5-9)18-2)14-11(16)15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyHVGNSUOZHAWVFX-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.38
Rot. Bonds3

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

N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide (PubChem CID 53297658) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide
PubChem CID53297658
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide
SMILESCOc1cc(NC(=O)n2cnnc2)cc(OC)c1
InChIInChI=1S/C11H12N4O3/c1-17-9-3-8(4-10(5-9)18-2)14-11(16)15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyHVGNSUOZHAWVFX-UHFFFAOYSA-N
XLogP1.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
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CID 47162141
N-(3,5-dimethoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 104936417
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592387
N-(3,5-dimethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187588
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
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CID 108869520

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide (CID 53297658) is N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide is COc1cc(NC(=O)n2cnnc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide?
The InChIKey is HVGNSUOZHAWVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-9-3-8(4-10(5-9)18-2)14-11(16)15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16).
What are the key properties of N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1,2,4-triazole-4-carboxamide is sourced from PubChem (CID 53297658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).