3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid

C10H10N4O4 — CID 82202614

IUPAC3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1nncc1C(=O)O)NCc1ccco1
InChIInChI=1S/C10H10N4O4/c15-9(11-4-7-2-1-3-18-7)6-14-8(10(16)17)5-12-13-14/h1-3,5H,4,6H2,(H,11,15)(H,16,17)
InChIKeyOGHAFSXHPIRSPJ-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.11
Rot. Bonds5

About 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid

3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 82202614) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID82202614
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid
SMILESO=C(Cn1nncc1C(=O)O)NCc1ccco1
InChIInChI=1S/C10H10N4O4/c15-9(11-4-7-2-1-3-18-7)6-14-8(10(16)17)5-12-13-14/h1-3,5H,4,6H2,(H,11,15)(H,16,17)
InChIKeyOGHAFSXHPIRSPJ-UHFFFAOYSA-N
XLogP-0.11
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-oxo-2-(2-phenylethylamino)ethyl]triazole-4-carboxylic acid
CID 82202621
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 19520335
2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19482452
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 19520030
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid (CID 82202614) is 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid is O=C(Cn1nncc1C(=O)O)NCc1ccco1.
What is the InChIKey of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is OGHAFSXHPIRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c15-9(11-4-7-2-1-3-18-7)6-14-8(10(16)17)5-12-13-14/h1-3,5H,4,6H2,(H,11,15)(H,16,17).
What are the key properties of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid?
3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 82202614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).