2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide

C12H14N4O3 — CID 83092939

IUPAC2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOCc1ccccc1C(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C12H14N4O3/c1-18-7-8-5-3-4-6-9(8)10(17)13-11-14-12(19-2)16-15-11/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyZOUCHJXHDIBMDI-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.21
Rot. Bonds5

About 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide

2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 83092939) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
PubChem CID83092939
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
SMILESCOCc1ccccc1C(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C12H14N4O3/c1-18-7-8-5-3-4-6-9(8)10(17)13-11-14-12(19-2)16-15-11/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyZOUCHJXHDIBMDI-UHFFFAOYSA-N
XLogP1.21
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83086537
5-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2-oxazole-3-carboxamide
CID 83093416
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
2,5-dihydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 107724991
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-methyl-2-nitrobenzamide
CID 83092359
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83101088
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1H-indazole-3-carboxamide
CID 83086847
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide (CID 83092939) is 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is COCc1ccccc1C(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is ZOUCHJXHDIBMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-7-8-5-3-4-6-9(8)10(17)13-11-14-12(19-2)16-15-11/h3-6H,7H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide?
2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 262.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 83092939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).