1-(furan-2-yl)-1,2,4-triazole-3-carboxamide

C7H6N4O2 — CID 151796248

IUPAC1-(furan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(-c2ccco2)n1
InChIInChI=1S/C7H6N4O2/c8-6(12)7-9-4-11(10-7)5-2-1-3-13-5/h1-4H,(H2,8,12)
InChIKeyRXQPDAOZITUYLM-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.04
Rot. Bonds2

About 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide

1-(furan-2-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 151796248) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-yl)-1,2,4-triazole-3-carboxamide
PubChem CID151796248
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name1-(furan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(-c2ccco2)n1
InChIInChI=1S/C7H6N4O2/c8-6(12)7-9-4-11(10-7)5-2-1-3-13-5/h1-4H,(H2,8,12)
InChIKeyRXQPDAOZITUYLM-UHFFFAOYSA-N
XLogP-0.04
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide (CID 151796248) is 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(-c2ccco2)n1.
What is the InChIKey of 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is RXQPDAOZITUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-6(12)7-9-4-11(10-7)5-2-1-3-13-5/h1-4H,(H2,8,12).
What are the key properties of 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide?
1-(furan-2-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 178.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 151796248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).