5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

C21H23N5O2 — CID 42880948

IUPAC5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-24(2)19(27)15-25(3)21(28)20-22-18(14-16-10-6-4-7-11-16)26(23-20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyIISCZXHYPJEKJP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.02
Rot. Bonds6

About 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42880948) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42880948
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O2/c1-24(2)19(27)15-25(3)21(28)20-22-18(14-16-10-6-4-7-11-16)26(23-20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3
InChIKeyIISCZXHYPJEKJP-UHFFFAOYSA-N
XLogP2.02
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42880948) is 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is CN(C)C(=O)CN(C)C(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is IISCZXHYPJEKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24(2)19(27)15-25(3)21(28)20-22-18(14-16-10-6-4-7-11-16)26(23-20)17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3.
What are the key properties of 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42880948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).