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

C15H20N4O4 — CID 888323

IUPAC3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2ncn[nH]2)cc(OCC)c1OCC
InChIInChI=1S/C15H20N4O4/c1-4-21-11-7-10(14(20)18-15-16-9-17-19-15)8-12(22-5-2)13(11)23-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyOQFGCQYOXRUGLU-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.25
Rot. Bonds8

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

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 888323) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID888323
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCCOc1cc(C(=O)Nc2ncn[nH]2)cc(OCC)c1OCC
InChIInChI=1S/C15H20N4O4/c1-4-21-11-7-10(14(20)18-15-16-9-17-19-15)8-12(22-5-2)13(11)23-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyOQFGCQYOXRUGLU-UHFFFAOYSA-N
XLogP2.25
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3,4,5-trimethoxybenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate
CID 2318350
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
3,4-diethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3156035
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
N-(1-ethyl(1,2,3,4-tetraazol-5-yl))(3,4,5-trimethoxyphenyl)carboxamide
CID 925621
4-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993124
3-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2995099
3,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 4300538
3-isopropoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 6458685
4-isopropoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 6472712

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 888323) is 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is CCOc1cc(C(=O)Nc2ncn[nH]2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is OQFGCQYOXRUGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-4-21-11-7-10(14(20)18-15-16-9-17-19-15)8-12(22-5-2)13(11)23-6-3/h7-9H,4-6H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 888323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).