5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid

C10H10N4O4 — CID 82211199

IUPAC5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
SMILESCNC(=O)Cn1nnc(C(=O)O)c1-c1ccco1
InChIInChI=1S/C10H10N4O4/c1-11-7(15)5-14-9(6-3-2-4-18-6)8(10(16)17)12-13-14/h2-4H,5H2,1H3,(H,11,15)(H,16,17)
InChIKeyDRIDJZCHICPQIK-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.02
Rot. Bonds4

About 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid

5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid (PubChem CID 82211199) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
PubChem CID82211199
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
SMILESCNC(=O)Cn1nnc(C(=O)O)c1-c1ccco1
InChIInChI=1S/C10H10N4O4/c1-11-7(15)5-14-9(6-3-2-4-18-6)8(10(16)17)12-13-14/h2-4H,5H2,1H3,(H,11,15)(H,16,17)
InChIKeyDRIDJZCHICPQIK-UHFFFAOYSA-N
XLogP-0.02
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-5-(furan-2-yl)triazole-4-carboxylic acid
CID 82202111
5-(furan-2-yl)-1-[(2-methylphenyl)methyl]triazole-4-carboxylic acid
CID 82202306
1-[2-(methylamino)-2-oxoethyl]-5-(3-methylimidazol-4-yl)triazole-4-carboxylic acid
CID 103115602
5-(furan-2-yl)-1-(4-methoxycarbonylphenyl)triazole-4-carboxylic acid
CID 94940392
5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 82201232
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid
CID 17015040
5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
CID 82221240
1-[3-(methylamino)-3-oxopropyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645132
5-(1H-indol-3-ylmethyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 94946232
methyl 5-(4-chlorophenyl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103105508
1-[2-(ethylamino)-2-oxoethyl]-5-(4-fluorophenyl)triazole-4-carboxylic acid
CID 102644310

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid (CID 82211199) is 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid is CNC(=O)Cn1nnc(C(=O)O)c1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid?
The InChIKey is DRIDJZCHICPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-11-7(15)5-14-9(6-3-2-4-18-6)8(10(16)17)12-13-14/h2-4H,5H2,1H3,(H,11,15)(H,16,17).
What are the key properties of 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid?
5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 82211199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).