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

C13H16N4O3 — CID 3156035

IUPAC3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nn2cnnc2)cc1OCC
InChIInChI=1S/C13H16N4O3/c1-3-19-11-6-5-10(7-12(11)20-4-2)13(18)16-17-8-14-15-9-17/h5-9H,3-4H2,1-2H3,(H,16,18)
InChIKeyCSCMOAKLYHAPKK-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.46
Rot. Bonds6

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

3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 3156035) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID3156035
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCCOc1ccc(C(=O)Nn2cnnc2)cc1OCC
InChIInChI=1S/C13H16N4O3/c1-3-19-11-6-5-10(7-12(11)20-4-2)13(18)16-17-8-14-15-9-17/h5-9H,3-4H2,1-2H3,(H,16,18)
InChIKeyCSCMOAKLYHAPKK-UHFFFAOYSA-N
XLogP1.46
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 888323
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
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
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
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
4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 2312302
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

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 3156035) is 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide is CCOc1ccc(C(=O)Nn2cnnc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is CSCMOAKLYHAPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-19-11-6-5-10(7-12(11)20-4-2)13(18)16-17-8-14-15-9-17/h5-9H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide?
3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 276.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 3156035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).