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

C11H12N4O3 — CID 4300538

IUPAC3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnnc2)cc1OC
InChIInChI=1S/C11H12N4O3/c1-17-9-4-3-8(5-10(9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyWFAHPZSKZQQOQF-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.68
Rot. Bonds4

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

3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 4300538) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID4300538
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnnc2)cc1OC
InChIInChI=1S/C11H12N4O3/c1-17-9-4-3-8(5-10(9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyWFAHPZSKZQQOQF-UHFFFAOYSA-N
XLogP0.68
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 748724
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
4-(2,3-dimethoxybenzoyl)-4H-1,2,4-triazol-3-amine
CID 2226284
(3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone
CID 2938648
1-(4-methoxybenzoyl)-1H-1,2,4-triazol-3-amine
CID 3235777
2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 4027510
3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 750212
Stk182061
CID 912328

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 4300538) is 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is COc1ccc(C(=O)Nn2cnnc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WFAHPZSKZQQOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-9-4-3-8(5-10(9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16).
What are the key properties of 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 248.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 4300538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).