methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate

C11H12N4O4 — CID 103627033

IUPACmethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCc2ccco2)nn1
InChIInChI=1S/C11H12N4O4/c1-18-11(17)9-6-15(14-13-9)7-10(16)12-5-8-3-2-4-19-8/h2-4,6H,5,7H2,1H3,(H,12,16)
InChIKeyBYFAWZFPCBISDU-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.03
Rot. Bonds5

About methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate

methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate (PubChem CID 103627033) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate
PubChem CID103627033
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Namemethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NCc2ccco2)nn1
InChIInChI=1S/C11H12N4O4/c1-18-11(17)9-6-15(14-13-9)7-10(16)12-5-8-3-2-4-19-8/h2-4,6H,5,7H2,1H3,(H,12,16)
InChIKeyBYFAWZFPCBISDU-UHFFFAOYSA-N
XLogP-0.03
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-[2-oxo-2-(propylamino)ethyl]triazole-4-carboxylate
CID 103642831
methyl 1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]triazole-4-carboxylate
CID 44511232
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773
methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 6618844
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705969
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
2-[5-(3,4-diethoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 1175335
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202614
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)-2-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 860651

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate (CID 103627033) is methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate is COC(=O)c1cn(CC(=O)NCc2ccco2)nn1.
What is the InChIKey of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate?
The InChIKey is BYFAWZFPCBISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-18-11(17)9-6-15(14-13-9)7-10(16)12-5-8-3-2-4-19-8/h2-4,6H,5,7H2,1H3,(H,12,16).
What are the key properties of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate?
methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate has a molecular weight of 264.24 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate is sourced from PubChem (CID 103627033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).