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

C18H18N6O2 — CID 6619515

IUPAC5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnn1CC(=O)Nc1ccccc1
InChIInChI=1S/C18H18N6O2/c19-17-16(18(26)20-11-13-7-3-1-4-8-13)22-23-24(17)12-15(25)21-14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,20,26)(H,21,25)
InChIKeyRELFWQAXNDWBRZ-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.43
Rot. Bonds6

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

5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide (PubChem CID 6619515) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
PubChem CID6619515
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccccc2)nnn1CC(=O)Nc1ccccc1
InChIInChI=1S/C18H18N6O2/c19-17-16(18(26)20-11-13-7-3-1-4-8-13)22-23-24(17)12-15(25)21-14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,20,26)(H,21,25)
InChIKeyRELFWQAXNDWBRZ-UHFFFAOYSA-N
XLogP1.43
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(2-anilino-2-oxoethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853607
5-amino-N-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853713
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-(3-methoxyanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 20923639
5-amino-1-(2-anilino-2-oxoethyl)-N-(2-ethylphenyl)triazole-4-carboxamide
CID 50927865
5-amino-1-[2-(3-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 20853654
5-amino-N-[(4-methoxyphenyl)methyl]-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 46252907
5-amino-1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 7180002
5-amino-1-(2-anilino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazole-4-carboxamide
CID 3240122
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 2135667

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide (CID 6619515) is 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide is Nc1c(C(=O)NCc2ccccc2)nnn1CC(=O)Nc1ccccc1.
What is the InChIKey of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
The InChIKey is RELFWQAXNDWBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-17-16(18(26)20-11-13-7-3-1-4-8-13)22-23-24(17)12-15(25)21-14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,20,26)(H,21,25).
What are the key properties of 5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide?
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.43, 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-benzyltriazole-4-carboxamide is sourced from PubChem (CID 6619515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).