ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate

C10H10N4O4 — CID 23854162

IUPACethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2ccco2)n[nH]1
InChIInChI=1S/C10H10N4O4/c1-2-17-9(16)7-11-10(14-13-7)12-8(15)6-4-3-5-18-6/h3-5H,2H2,1H3,(H2,11,12,13,14,15)
InChIKeySUWIGXQELVFHHY-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.83
Rot. Bonds4

About ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate

ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate (PubChem CID 23854162) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate
PubChem CID23854162
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Nameethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate
SMILESCCOC(=O)c1nc(NC(=O)c2ccco2)n[nH]1
InChIInChI=1S/C10H10N4O4/c1-2-17-9(16)7-11-10(14-13-7)12-8(15)6-4-3-5-18-6/h3-5H,2H2,1H3,(H2,11,12,13,14,15)
InChIKeySUWIGXQELVFHHY-UHFFFAOYSA-N
XLogP0.83
TPSA110.11 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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate?
The IUPAC name of ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate (CID 23854162) is ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate?
The canonical SMILES for ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate is CCOC(=O)c1nc(NC(=O)c2ccco2)n[nH]1.
What is the InChIKey of ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate?
The InChIKey is SUWIGXQELVFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-2-17-9(16)7-11-10(14-13-7)12-8(15)6-4-3-5-18-6/h3-5H,2H2,1H3,(H2,11,12,13,14,15).
What are the key properties of ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate?
ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-carbonylamino)-1H-1,2,4-triazole-5-carboxylate is sourced from PubChem (CID 23854162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).