N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

C16H11N5O3 — CID 929988

IUPACN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccco1
InChIInChI=1S/C16H11N5O3/c22-13-9-11(10-5-2-1-3-6-10)17-16-19-15(20-21(13)16)18-14(23)12-7-4-8-24-12/h1-9H,(H2,17,18,19,20,23)
InChIKeyTVFDKUOJLUAXOL-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.93
Rot. Bonds3

About N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide

N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (PubChem CID 929988) has the molecular formula C16H11N5O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
PubChem CID929988
Molecular FormulaC16H11N5O3
Molecular Weight321.30 g/mol
Exact Mass321.09
IUPAC NameN-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccco1
InChIInChI=1S/C16H11N5O3/c22-13-9-11(10-5-2-1-3-6-10)17-16-19-15(20-21(13)16)18-14(23)12-7-4-8-24-12/h1-9H,(H2,17,18,19,20,23)
InChIKeyTVFDKUOJLUAXOL-UHFFFAOYSA-N
XLogP1.93
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide (CID 929988) is N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is O=C(Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1)c1ccco1.
What is the InChIKey of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is TVFDKUOJLUAXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3/c22-13-9-11(10-5-2-1-3-6-10)17-16-19-15(20-21(13)16)18-14(23)12-7-4-8-24-12/h1-9H,(H2,17,18,19,20,23).
What are the key properties of N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide?
N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 929988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).