3-methoxy-N-(2-methyltriazol-4-yl)benzamide

C11H12N4O2 — CID 112535277

IUPAC3-methoxy-N-(2-methyltriazol-4-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cnn(C)n2)c1
InChIInChI=1S/C11H12N4O2/c1-15-12-7-10(14-15)13-11(16)8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,13,14,16)
InChIKeyQSDOIURAVDCCIN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.08
Rot. Bonds3

About 3-methoxy-N-(2-methyltriazol-4-yl)benzamide

3-methoxy-N-(2-methyltriazol-4-yl)benzamide (PubChem CID 112535277) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methoxy-N-(2-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methyltriazol-4-yl)benzamide
PubChem CID112535277
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-methoxy-N-(2-methyltriazol-4-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2cnn(C)n2)c1
InChIInChI=1S/C11H12N4O2/c1-15-12-7-10(14-15)13-11(16)8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,13,14,16)
InChIKeyQSDOIURAVDCCIN-UHFFFAOYSA-N
XLogP1.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
N-[5-ethyl-1-(4-methoxyphenyl)pyrazol-3-yl]-3-methoxybenzamide
CID 46106932
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-methoxybenzamide
CID 134797678
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methyltriazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-(2-methyltriazol-4-yl)benzamide (CID 112535277) is 3-methoxy-N-(2-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methyltriazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-methyltriazol-4-yl)benzamide is COc1cccc(C(=O)Nc2cnn(C)n2)c1.
What is the InChIKey of 3-methoxy-N-(2-methyltriazol-4-yl)benzamide?
The InChIKey is QSDOIURAVDCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-12-7-10(14-15)13-11(16)8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,13,14,16).
What are the key properties of 3-methoxy-N-(2-methyltriazol-4-yl)benzamide?
3-methoxy-N-(2-methyltriazol-4-yl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 112535277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).