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

C11H12N4O3 — CID 702927

IUPAC3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C11H12N4O3/c1-17-8-3-7(4-9(5-8)18-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyRGKSDFUICNFMCO-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.07
Rot. Bonds4

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

3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 702927) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID702927
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ncn[nH]2)c1
InChIInChI=1S/C11H12N4O3/c1-17-8-3-7(4-9(5-8)18-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyRGKSDFUICNFMCO-UHFFFAOYSA-N
XLogP1.07
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
3-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814685
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
(3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 936917
3,4,5-triethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 5228490
3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 750212
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
4-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993124
3-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2995099
3-isopropoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 6458685

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 702927) is 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2ncn[nH]2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is RGKSDFUICNFMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-8-3-7(4-9(5-8)18-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 248.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 702927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).