1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide

C20H23N5O — CID 86917770

IUPAC1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
SMILESCN(C)CC(NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-24(2)14-18(17-11-7-4-8-12-17)21-20(26)19-15-25(23-22-19)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,26)
InChIKeyBQVXJVLUPRCRJJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.36
Rot. Bonds7

About 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide

1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide (PubChem CID 86917770) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
PubChem CID86917770
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
SMILESCN(C)CC(NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-24(2)14-18(17-11-7-4-8-12-17)21-20(26)19-15-25(23-22-19)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,26)
InChIKeyBQVXJVLUPRCRJJ-UHFFFAOYSA-N
XLogP2.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
methyl 3-[(1-benzyltriazole-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 134033627
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
1-benzyltriazole-4-carbonyl chloride
CID 87720228
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567
N-(1,3-benzodioxol-5-yl)-1-benzyltriazole-4-carboxamide
CID 31699405
1-benzyl-N'-[3-(dimethylamino)benzoyl]triazole-4-carbohydrazide
CID 25333094
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]triazol-1-yl]acetic acid
CID 82949755
1-benzyl-N-(2,3-dimethylphenyl)triazole-4-carboxamide
CID 18146607

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide (CID 86917770) is 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide is CN(C)CC(NC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide?
The InChIKey is BQVXJVLUPRCRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24(2)14-18(17-11-7-4-8-12-17)21-20(26)19-15-25(23-22-19)13-16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3,(H,21,26).
What are the key properties of 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide?
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide is sourced from PubChem (CID 86917770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).