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

C11H12N4O3 — CID 912328

IUPAC2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1cccc(C(=O)Nn2cnnc2)c1OC
InChIInChI=1S/C11H12N4O3/c1-17-9-5-3-4-8(10(9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyYXFTUXDCDMZBJB-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.68
Rot. Bonds4

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

2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 912328) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID912328
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1cccc(C(=O)Nn2cnnc2)c1OC
InChIInChI=1S/C11H12N4O3/c1-17-9-5-3-4-8(10(9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyYXFTUXDCDMZBJB-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

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
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
2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 4027510
5-chloro-2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 669777
3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 750212
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
3,4,5-triethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 2315619
4-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814682

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 912328) is 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is COc1cccc(C(=O)Nn2cnnc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is YXFTUXDCDMZBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-9-5-3-4-8(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 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
2,3-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 2,3-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 912328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).