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

C11H12N4O3 — CID 750212

IUPAC3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C11H12N4O3/c1-17-9-3-8(4-10(5-9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyJITQEQNOULVWGX-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.68
Rot. Bonds4

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

3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 750212) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID750212
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C11H12N4O3/c1-17-9-3-8(4-10(5-9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyJITQEQNOULVWGX-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
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-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 936917
Stk182061
CID 912328
4-(difluoromethoxy)-3-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 2312302
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
3,5-dimethoxy-N-(1H-1,2,4-triazol-3-yl)benzamide
CID 702927

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 750212) is 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is COc1cc(OC)cc(C(=O)Nn2cnnc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is JITQEQNOULVWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-9-3-8(4-10(5-9)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16).
What are the key properties of 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
3,5-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 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 750212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).