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

C11H12N4O — CID 912545

IUPAC3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C11H12N4O/c1-8-3-9(2)5-10(4-8)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyRPRUSCFEOISYNL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.28
Rot. Bonds2

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

3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 912545) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID912545
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nn2cnnc2)c1
InChIInChI=1S/C11H12N4O/c1-8-3-9(2)5-10(4-8)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyRPRUSCFEOISYNL-UHFFFAOYSA-N
XLogP1.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814664
4-methyl-N-4H-1,2,4-triazol-3-ylbenzamide
CID 871044
N-(1,2,4)Triazol-4-YL-benzamide
CID 676579
3-chloro-4-methyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 807494
4-tert-butyl-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814667
4-Chloro-N-[1,2,4]triazol-4-yl-benzamide
CID 814676
2-Methyl-N-[1,2,4]triazol-4-yl-benzamide
CID 2247187
4-cyano-N-(1,2,4-triazol-4-yl)benzamide
CID 2409153
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814674
2-chloro-4-methyl-N-(1,2,4-triazol-4-yl)benzamide
CID 885905
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 576827
4-(4-methylbenzoyl)-4H-1,2,4-triazol-3-amine
CID 892616

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide (CID 912545) is 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide is Cc1cc(C)cc(C(=O)Nn2cnnc2)c1.
What is the InChIKey of 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is RPRUSCFEOISYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-3-9(2)5-10(4-8)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16).
What are the key properties of 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide?
3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 216.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 912545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).