5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide

C20H23N5O — CID 50929084

IUPAC5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H23N5O/c1-4-15-6-8-16(9-7-15)12-21-20(26)18-19(24-25-23-18)22-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZMAXIZIMRRDXLD-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.66
Rot. Bonds6

About 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide

5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide (PubChem CID 50929084) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide
PubChem CID50929084
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide
SMILESCCc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H23N5O/c1-4-15-6-8-16(9-7-15)12-21-20(26)18-19(24-25-23-18)22-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZMAXIZIMRRDXLD-UHFFFAOYSA-N
XLogP3.66
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)-2H-triazole-4-carboxamide
CID 50928973
5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 50928971
N-benzyl-5-(3,4-dimethylanilino)-N-methyl-2H-triazole-4-carboxamide
CID 50929273
5-(4-ethylanilino)-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 50928986
1-(3,4-dimethylphenyl)-N-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858321
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
5-(4-ethylanilino)-N-[1-(4-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 50928987
5-(3-chloroanilino)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 50929154
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
[5-(3,4-dimethylanilino)-2H-triazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 50929310

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide (CID 50929084) is 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide is CCc1ccc(CNC(=O)c2n[nH]nc2Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is ZMAXIZIMRRDXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-15-6-8-16(9-7-15)12-21-20(26)18-19(24-25-23-18)22-17-10-5-13(2)14(3)11-17/h5-11H,4,12H2,1-3H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide?
5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-N-[(4-ethylphenyl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 50929084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).