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

C12H14N4O4 — CID 912398

IUPAC2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ncn[nH]2)cc1OC
InChIInChI=1S/C12H14N4O4/c1-18-8-5-10(20-3)9(19-2)4-7(8)11(17)15-12-13-6-14-16-12/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyZVXDNFMZNAJVOV-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.08
Rot. Bonds5

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

2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 912398) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID912398
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ncn[nH]2)cc1OC
InChIInChI=1S/C12H14N4O4/c1-18-8-5-10(20-3)9(19-2)4-7(8)11(17)15-12-13-6-14-16-12/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyZVXDNFMZNAJVOV-UHFFFAOYSA-N
XLogP1.08
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 4027510
3,4,5-triethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 5228490
N-(1-ethyl(1,2,3,4-tetraazol-5-yl))(3,4,5-trimethoxyphenyl)carboxamide
CID 925621
3,5-dimethoxy-N-(1H-1,2,4-triazol-3-yl)benzamide
CID 702927
3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 2315619
2-hydroxy-4-methoxy-N-(4H-1,2,4-triazol-3-yl)benzamide
CID 6481027
3,4,5-trimethoxy-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588887
5-Methyl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4691767
3,4-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 745499
2,6-dimethoxy-N-(1H-1,2,4-triazol-3-yl)benzamide
CID 2858889
4-(difluoromethoxy)-3-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30867068

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 912398) is 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1cc(OC)c(C(=O)Nc2ncn[nH]2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is ZVXDNFMZNAJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-18-8-5-10(20-3)9(19-2)4-7(8)11(17)15-12-13-6-14-16-12/h4-6H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 278.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 912398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).