2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide

C13H16N4O — CID 86796491

IUPAC2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2nncn2C)c(C)c1
InChIInChI=1S/C13H16N4O/c1-8-5-9(2)11(10(3)6-8)12(18)15-13-16-14-7-17(13)4/h5-7H,1-4H3,(H,15,16,18)
InChIKeyMEOWKYXLKQSOLD-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.99
Rot. Bonds2

About 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide

2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 86796491) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID86796491
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2nncn2C)c(C)c1
InChIInChI=1S/C13H16N4O/c1-8-5-9(2)11(10(3)6-8)12(18)15-13-16-14-7-17(13)4/h5-7H,1-4H3,(H,15,16,18)
InChIKeyMEOWKYXLKQSOLD-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide (CID 86796491) is 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide is Cc1cc(C)c(C(=O)Nc2nncn2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is MEOWKYXLKQSOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-5-9(2)11(10(3)6-8)12(18)15-13-16-14-7-17(13)4/h5-7H,1-4H3,(H,15,16,18).
What are the key properties of 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide?
2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 86796491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).