5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide

C20H22N6O2 — CID 2134777

IUPAC5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C)c1N
InChIInChI=1S/C20H22N6O2/c1-3-14-9-5-7-11-16(14)23-20(28)18-19(21)26(25-24-18)12-17(27)22-15-10-6-4-8-13(15)2/h4-11H,3,12,21H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyMKHOUHLOUNWLRM-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.62
Rot. Bonds6

About 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide

5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide (PubChem CID 2134777) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide
PubChem CID2134777
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C)c1N
InChIInChI=1S/C20H22N6O2/c1-3-14-9-5-7-11-16(14)23-20(28)18-19(21)26(25-24-18)12-17(27)22-15-10-6-4-8-13(15)2/h4-11H,3,12,21H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyMKHOUHLOUNWLRM-UHFFFAOYSA-N
XLogP2.62
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Benzyl-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
CID 135447439
5-Amino-1-benzyl-1H-1,2,3-triazole-4-carboxamide
CID 225435
5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide
CID 5309788
5-amino-N-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
CID 3340803
5-Amino-N,1-dibenzyl-1H-1,2,3-triazole-4-carboxamide
CID 562160
3-benzyl-6-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 672604
5-amino-N-(2,3-dimethylphenyl)-1-(4-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 3239749
5-amino-N-(2,5-dimethylphenyl)-1-[(3-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 16008391
5-amino-N-(3-bromophenyl)-1-(2-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 16421201
4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-1-(3-methylphenyl)-1H-1,2,3-triazol-5-amine
CID 3235731
3-[(4-Methylphenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-3H,6H,7H-[1,2,3]triazolo[4,5-D]pyrimidin-7-one
CID 3236484
3-[(4-Fluorophenyl)methyl]-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]triazolo[4,5-d]pyrimidin-7-one
CID 3238959

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide (CID 2134777) is 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide is CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C)c1N.
What is the InChIKey of 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
The InChIKey is MKHOUHLOUNWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-14-9-5-7-11-16(14)23-20(28)18-19(21)26(25-24-18)12-17(27)22-15-10-6-4-8-13(15)2/h4-11H,3,12,21H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide?
5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethylphenyl)-1-[2-(2-methylanilino)-2-oxoethyl]triazole-4-carboxamide is sourced from PubChem (CID 2134777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).