2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C13H16N4O — CID 54883827

IUPAC2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCc2ncn[nH]2)c(C)c1
InChIInChI=1S/C13H16N4O/c1-8-4-9(2)12(10(3)5-8)13(18)14-6-11-15-7-16-17-11/h4-5,7H,6H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyXNDVIEUQUBZXNT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.66
Rot. Bonds3

About 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 54883827) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID54883827
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCc2ncn[nH]2)c(C)c1
InChIInChI=1S/C13H16N4O/c1-8-4-9(2)12(10(3)5-8)13(18)14-6-11-15-7-16-17-11/h4-5,7H,6H2,1-3H3,(H,14,18)(H,15,16,17)
InChIKeyXNDVIEUQUBZXNT-UHFFFAOYSA-N
XLogP1.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883677
2-methyl-5-methylsulfanyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883628
2-methyl-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883775
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 60982681
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole-4-carboxamide
CID 146121809
2-bromo-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103854320
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
2,4-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209532
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885247

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 54883827) is 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is Cc1cc(C)c(C(=O)NCc2ncn[nH]2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is XNDVIEUQUBZXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-4-9(2)12(10(3)5-8)13(18)14-6-11-15-7-16-17-11/h4-5,7H,6H2,1-3H3,(H,14,18)(H,15,16,17).
What are the key properties of 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 54883827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).