5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide

C19H20N6O2 — CID 50927865

IUPAC5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N
InChIInChI=1S/C19H20N6O2/c1-2-13-8-6-7-11-15(13)22-19(27)17-18(20)25(24-23-17)12-16(26)21-14-9-4-3-5-10-14/h3-11H,2,12,20H2,1H3,(H,21,26)(H,22,27)
InChIKeyORDCSAXUCSCVJP-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.31
Rot. Bonds6

About 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide

5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide (PubChem CID 50927865) 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-(2-ethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
PubChem CID50927865
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N
InChIInChI=1S/C19H20N6O2/c1-2-13-8-6-7-11-15(13)22-19(27)17-18(20)25(24-23-17)12-16(26)21-14-9-4-3-5-10-14/h3-11H,2,12,20H2,1H3,(H,21,26)(H,22,27)
InChIKeyORDCSAXUCSCVJP-UHFFFAOYSA-N
XLogP2.31
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide
CID 15990803
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731
methyl 5-amino-1-(2-anilino-2-oxoethyl)triazole-4-carboxylate
CID 4610938
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
CID 6619515
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662
5-amino-N-(2,3-dimethylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853818
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 2135667
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853607
1-[2-(2-ethylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid
CID 20852247
5-amino-N-(4-fluorophenyl)-1-[2-(2-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20923628
5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-methylphenyl)triazole-4-carboxamide
CID 20853613
5-amino-N-(4-ethoxyphenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853622

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide (CID 50927865) is 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide is CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide?
The InChIKey is ORDCSAXUCSCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-2-13-8-6-7-11-15(13)22-19(27)17-18(20)25(24-23-17)12-16(26)21-14-9-4-3-5-10-14/h3-11H,2,12,20H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide?
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.31, 6 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-(2-ethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 50927865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).