5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide

C19H20N6O2 — CID 3240824

IUPAC5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1C
InChIInChI=1S/C19H20N6O2/c1-12-8-9-15(10-13(12)2)22-19(27)17-18(20)25(24-23-17)11-16(26)21-14-6-4-3-5-7-14/h3-10H,11,20H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyLCDQIDCKHVLMCD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.37
Rot. Bonds5

About 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide

5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide (PubChem CID 3240824) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide
PubChem CID3240824
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1C
InChIInChI=1S/C19H20N6O2/c1-12-8-9-15(10-13(12)2)22-19(27)17-18(20)25(24-23-17)11-16(26)21-14-6-4-3-5-7-14/h3-10H,11,20H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyLCDQIDCKHVLMCD-UHFFFAOYSA-N
XLogP2.37
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.37
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-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
3-(3,4-Dimethylphenyl)-6-prop-2-enyltriazolo[4,5-d]pyrimidin-7-one
CID 7200044
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-ethylphenyl)-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 2134777
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
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
5-amino-N-(2,3-dimethylphenyl)-1-(2-methylbenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 3239048

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide (CID 3240824) is 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide is Cc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1C.
What is the InChIKey of 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide?
The InChIKey is LCDQIDCKHVLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-8-9-15(10-13(12)2)22-19(27)17-18(20)25(24-23-17)11-16(26)21-14-6-4-3-5-7-14/h3-10H,11,20H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide?
5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-anilino-2-oxoethyl)-N-(3,4-dimethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 3240824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).