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

C16H16N6O3 — CID 3279863

IUPAC5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1CC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N6O3/c17-15-14(16(24)18-9-12-7-4-8-25-12)20-21-22(15)10-13(23)19-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,24)(H,19,23)
InChIKeyVKCDTGWTXBJSKH-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.02
Rot. Bonds6

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

5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 3279863) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
PubChem CID3279863
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide
SMILESNc1c(C(=O)NCc2ccco2)nnn1CC(=O)Nc1ccccc1
InChIInChI=1S/C16H16N6O3/c17-15-14(16(24)18-9-12-7-4-8-25-12)20-21-22(15)10-13(23)19-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,24)(H,19,23)
InChIKeyVKCDTGWTXBJSKH-UHFFFAOYSA-N
XLogP1.02
TPSA128.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
CID 3236382
5-amino-N-(furan-2-ylmethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 3237565
5-Amino-N-(4-ethoxyphenyl)-1-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 3243751
5-amino-N-(2-furylmethyl)-1-{2-[(3-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
CID 15990733
5-Amino-1-{[(2H-1,3-benzodioxol-5-YL)carbamoyl]methyl}-N-[(furan-2-YL)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 16195401
2-[3-(4-chlorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide
CID 3236984
5-amino-N-(furan-2-ylmethyl)-1-phenyltriazole-4-carboxamide
CID 3241170
5-amino-1-(3,5-dimethylphenyl)-N-(furan-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3245543
2-(3-benzyl-7-oxo-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 5310524
5-amino-1-{2-[(2-ethylphenyl)amino]-2-oxoethyl}-N-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 15990769
5-amino-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 15990807
5-amino-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N~4~-(2-furylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 16023398

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide (CID 3279863) is 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide is Nc1c(C(=O)NCc2ccco2)nnn1CC(=O)Nc1ccccc1.
What is the InChIKey of 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is VKCDTGWTXBJSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c17-15-14(16(24)18-9-12-7-4-8-25-12)20-21-22(15)10-13(23)19-11-5-2-1-3-6-11/h1-8H,9-10,17H2,(H,18,24)(H,19,23).
What are the key properties of 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide?
5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 3279863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).