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

C15H20N4O4 — CID 2315619

IUPAC3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1cc(C(=O)Nn2cnnc2)cc(OCC)c1OCC
InChIInChI=1S/C15H20N4O4/c1-4-21-12-7-11(15(20)18-19-9-16-17-10-19)8-13(22-5-2)14(12)23-6-3/h7-10H,4-6H2,1-3H3,(H,18,20)
InChIKeyKBDPQBSWAKMASY-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.86
Rot. Bonds8

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

3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 2315619) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID2315619
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1cc(C(=O)Nn2cnnc2)cc(OCC)c1OCC
InChIInChI=1S/C15H20N4O4/c1-4-21-12-7-11(15(20)18-19-9-16-17-10-19)8-13(22-5-2)14(12)23-6-3/h7-10H,4-6H2,1-3H3,(H,18,20)
InChIKeyKBDPQBSWAKMASY-UHFFFAOYSA-N
XLogP1.86
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
3,4-diethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 3156035
4-butoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 660181
3-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814685
2,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 936109
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
Stk182061
CID 912328
N-(1-ethyl(1,2,3,4-tetraazol-5-yl))(3,4,5-trimethoxyphenyl)carboxamide
CID 925621
4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 2312302
3,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 4300538
2,4,5-trimethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 912398

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 2315619) is 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide is CCOc1cc(C(=O)Nn2cnnc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is KBDPQBSWAKMASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-4-21-12-7-11(15(20)18-19-9-16-17-10-19)8-13(22-5-2)14(12)23-6-3/h7-10H,4-6H2,1-3H3,(H,18,20).
What are the key properties of 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide?
3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 320.35 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 2315619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).