N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide

C15H21N5O — CID 125436397

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2n[nH]nc2C)N(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10-6-5-7-12(8-10)13(20(3)4)9-16-15(21)14-11(2)17-19-18-14/h5-8,13H,9H2,1-4H3,(H,16,21)(H,17,18,19)/t13-/m1/s1
InChIKeyRWDZNPHNHIQBDA-CYBMUJFWSA-N
MW287.37 g/mol
LogP1.45
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide

N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 125436397) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID125436397
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1cccc([C@@H](CNC(=O)c2n[nH]nc2C)N(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10-6-5-7-12(8-10)13(20(3)4)9-16-15(21)14-11(2)17-19-18-14/h5-8,13H,9H2,1-4H3,(H,16,21)(H,17,18,19)/t13-/m1/s1
InChIKeyRWDZNPHNHIQBDA-CYBMUJFWSA-N
XLogP1.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 125439248
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 122562540
5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125446087
N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 122564762
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
CID 125443881
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide (CID 125436397) is N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide is Cc1cccc([C@@H](CNC(=O)c2n[nH]nc2C)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is RWDZNPHNHIQBDA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-6-5-7-12(8-10)13(20(3)4)9-16-15(21)14-11(2)17-19-18-14/h5-8,13H,9H2,1-4H3,(H,16,21)(H,17,18,19)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 125436397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).