2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C13H16N4O — CID 103769288

IUPAC2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H16N4O/c1-9-4-3-5-10(2)12(9)13(18)14-7-6-11-15-8-16-17-11/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDBQTWKANFRMCLD-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.39
Rot. Bonds4

About 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 103769288) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID103769288
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCc1cccc(C)c1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C13H16N4O/c1-9-4-3-5-10(2)12(9)13(18)14-7-6-11-15-8-16-17-11/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDBQTWKANFRMCLD-UHFFFAOYSA-N
XLogP1.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
2-amino-6-ethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420466
2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518360
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
2-methyl-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883775
4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 64532387
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
2-methyl-6-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 64523559

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 103769288) is 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is Cc1cccc(C)c1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is DBQTWKANFRMCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-3-5-10(2)12(9)13(18)14-7-6-11-15-8-16-17-11/h3-5,8H,6-7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 244.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103769288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).